9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

C104H78N8 — CID 162500648

About 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (PubChem CID 162500648) has the molecular formula C104H78N8 and a molecular weight of 1439.82 g/mol. Its IUPAC name is 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
• PubChem CID: 162500648
• Molecular Formula: C104H78N8
• Molecular Weight: 1439.82 g/mol
• Exact Mass: 1438.63
• IUPAC Name: 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)c(C)c1
• InChI: InChI=1S/C104H78N8/c1-63-32-42-83(67(5)52-63)77-38-48-93-89(57-77)90-58-78(84-43-33-64(2)53-68(84)6)39-49-94(90)111(93)97-61-81(103-107-99(71-22-13-9-14-23-71)105-100(108-103)72-24-15-10-16-25-72)36-46-87(97)75-30-21-31-76(56-75)88-47-37-82(104-109-101(73-26-17-11-18-27-73)106-102(110-104)74-28-19-12-20-29-74)62-98(88)112-95-50-40-79(85-44-34-65(3)54-69(85)7)59-91(95)92-60-80(41-51-96(92)112)86-45-35-66(4)55-70(86)8/h9-62H,1-8H3
• InChIKey: JESJFAFXCMJAAF-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1439.82
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The IUPAC name of 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (CID 162500648) is 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

What is the SMILES notation for 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The canonical SMILES for 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)c(C)c1.

What is the InChIKey of 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The InChIKey is JESJFAFXCMJAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H78N8/c1-63-32-42-83(67(5)52-63)77-38-48-93-89(57-77)90-58-78(84-43-33-64(2)53-68(84)6)39-49-94(90)111(93)97-61-81(103-107-99(71-22-13-9-14-23-71)105-100(108-103)72-24-15-10-16-25-72)36-46-87(97)75-30-21-31-76(56-75)88-47-37-82(104-109-101(73-26-17-11-18-27-73)106-102(110-104)74-28-19-12-20-29-74)62-98(88)112-95-50-40-79(85-44-34-65(3)54-69(85)7)59-91(95)92-60-80(41-51-96(92)112)86-45-35-66(4)55-70(86)8/h9-62H,1-8H3.

What are the key properties of 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 1439.82 g/mol, XLogP of 26.72, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 162500648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).