9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C64H46N8 — CID 146512114

About 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 146512114) has the molecular formula C64H46N8 and a molecular weight of 927.13 g/mol. Its IUPAC name is 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

• Compound Name: 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
• PubChem CID: 146512114
• Molecular Formula: C64H46N8
• Molecular Weight: 927.13 g/mol
• Exact Mass: 926.38
• IUPAC Name: 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C64H46N8/c1-39-25-29-53-47(33-39)48-34-40(2)26-30-54(48)71(53)57-37-52(64-69-61(45-21-13-7-14-22-45)66-62(70-64)46-23-15-8-16-24-46)58(72-55-31-27-41(3)35-49(55)50-36-42(4)28-32-56(50)72)38-51(57)63-67-59(43-17-9-5-10-18-43)65-60(68-63)44-19-11-6-12-20-44/h5-38H,1-4H3
• InChIKey: QWMACSZLTVCPHL-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.13
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 146512114) is 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

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

The canonical SMILES for 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

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

The InChIKey is QWMACSZLTVCPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N8/c1-39-25-29-53-47(33-39)48-34-40(2)26-30-54(48)71(53)57-37-52(64-69-61(45-21-13-7-14-22-45)66-62(70-64)46-23-15-8-16-24-46)58(72-55-31-27-41(3)35-49(55)50-36-42(4)28-32-56(50)72)38-51(57)63-67-59(43-17-9-5-10-18-43)65-60(68-63)44-19-11-6-12-20-44/h5-38H,1-4H3.

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

9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 927.13 g/mol, XLogP of 15.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 146512114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).