2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

C98H69N5O2 — CID 88917340

IUPAC2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1
InChIInChI=1S/C98H69N5O2/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65/h5-61H,1-4H3
InChIKeyNZTUUOQMGGVSNJ-UHFFFAOYSA-N
MW1348.66 g/mol
LogP25.06
Rot. Bonds14

About 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 88917340) has the molecular formula C98H69N5O2 and a molecular weight of 1348.66 g/mol. Its IUPAC name is 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID88917340
Molecular FormulaC98H69N5O2
Molecular Weight1348.66 g/mol
Exact Mass1347.55
IUPAC Name2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1
InChIInChI=1S/C98H69N5O2/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65/h5-61H,1-4H3
InChIKeyNZTUUOQMGGVSNJ-UHFFFAOYSA-N
XLogP25.06
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.66
LogP ≤ 525.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (CID 88917340) is 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is COc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1.
What is the InChIKey of 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is NZTUUOQMGGVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H69N5O2/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65/h5-61H,1-4H3.
What are the key properties of 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1348.66 g/mol, XLogP of 25.06, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 88917340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).