6, 7- Dimethoxy- 3, 3- bis(4- methoxyphenyl) benzo[3, 4] fluoreno[2, 1- b] pyran- 13(3H) - one - CAS 329786-33-6
Catalog: |
BB063209 |
Product Name: |
6, 7- Dimethoxy- 3, 3- bis(4- methoxyphenyl) benzo[3, 4] fluoreno[2, 1- b] pyran- 13(3H) - one |
CAS: |
329786-33-6 |
Synonyms: |
6,7-Dimethoxy-3,3-bis(4-methoxyphenyl)benzo[h]indeno[2,1-f]chromen-13(3H)-one |
IUPAC Name: | 10,11-dimethoxy-5,5-bis(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one |
Description: | 6, 7- Dimethoxy- 3, 3- bis(4- methoxyphenyl) benzo[3, 4] fluoreno[2, 1- b] pyran- 13(3H) - one is used as a reagent in the preparation of multi-substituted indene condensed cyclonaphthopyran photochromic compound. |
Molecular Weight: | 556.6 |
Molecular Formula: | C36H28O6 |
Canonical SMILES: | COC1=CC=C(C=C1)C2(C=CC3=C(O2)C4=CC(=C(C=C4C5=C3C(=O)C6=CC=CC=C65)OC)OC)C7=CC=C(C=C7)OC |
InChI: | InChI=1S/C36H28O6/c1-38-23-13-9-21(10-14-23)36(22-11-15-24(39-2)16-12-22)18-17-27-33-32(25-7-5-6-8-26(25)34(33)37)28-19-30(40-3)31(41-4)20-29(28)35(27)42-36/h5-20H,1-4H3 |
InChI Key: | WHQHUTGAHMICJK-UHFFFAOYSA-N |
References: | Han, J., et al. Faming Zhuanli Shenqing. 20pp. (2018). |
Complexity: | 955 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 556.18858861 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 556.18858861 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.7 |
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