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

C65H45N5 — CID 155628027

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (PubChem CID 155628027) has the molecular formula C65H45N5 and a molecular weight of 896.11 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
• PubChem CID: 155628027
• Molecular Formula: C65H45N5
• Molecular Weight: 896.11 g/mol
• Exact Mass: 895.37
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
• SMILES: Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C65H45N5/c1-42-17-14-23-46(37-42)48-31-34-59-55(39-48)56-40-49(47-24-15-18-43(2)38-47)32-35-60(56)70(59)61-36-33-50(52-28-16-29-54-53-27-12-13-30-58(53)69(62(52)54)51-25-10-5-11-26-51)41-57(61)65-67-63(44-19-6-3-7-20-44)66-64(68-65)45-21-8-4-9-22-45/h3-41H,1-2H3
• InChIKey: QXHQWQKHMNWQTN-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.11
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (CID 155628027) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.

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

The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is QXHQWQKHMNWQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N5/c1-42-17-14-23-46(37-42)48-31-34-59-55(39-48)56-40-49(47-24-15-18-43(2)38-47)32-35-60(56)70(59)61-36-33-50(52-28-16-29-54-53-27-12-13-30-58(53)69(62(52)54)51-25-10-5-11-26-51)41-57(61)65-67-63(44-19-6-3-7-20-44)66-64(68-65)45-21-8-4-9-22-45/h3-41H,1-2H3.

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole has a molecular weight of 896.11 g/mol, XLogP of 16.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is sourced from PubChem (CID 155628027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).