3,3-bis-(2-Methyl-1-octyl-1H-indol-3-yl)-1(3H)-isobenzofuranone - CAS 50292-95-0
Catalog: |
BB044317 |
Product Name: |
3,3-bis-(2-Methyl-1-octyl-1H-indol-3-yl)-1(3H)-isobenzofuranone |
CAS: |
50292-95-0 |
Synonyms: |
3,3-bis-(2-Methyl-1-octyl-1H-indol-3-yl)-1(3H)-isobenzofuranone; 3,3'-bis(1-n-Octyl-2-methylindol-3-yl)phthalide; Pergascript Red 16; WinCon-Red |
IUPAC Name: | 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one |
Description: | 3,3-bis-(2-Methyl-1-octyl-1H-indol-3-yl)-1(3H)-isobenzofuranone is a red pigment commonly used in ink and panit. |
Molecular Weight: | 616.88 |
Molecular Formula: | C42H52N2O2 |
Canonical SMILES: | CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C |
InChI: | InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3 |
InChI Key: | XOEUNIAGBKGZLU-UHFFFAOYSA-N |
Boiling Point: | 752.6 °C at 760 mmHg |
Melting Point: | 91-94 °C |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
Appearance: | White to fluorescent powder |
Complexity: | 898 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 616.40287891 |
Formal Charge: | 0 |
Heavy Atom Count: | 46 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 616.40287891 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 36.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 12.2 |
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