9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole

C87H58N6 — CID 139545276

About 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole

9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 139545276) has the molecular formula C87H58N6 and a molecular weight of 1187.46 g/mol. Its IUPAC name is 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole
• PubChem CID: 139545276
• Molecular Formula: C87H58N6
• Molecular Weight: 1187.46 g/mol
• Exact Mass: 1186.47
• IUPAC Name: 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole
• SMILES: Cc1cccc(-c2c(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)n1
• InChI: InChI=1S/C87H58N6/c1-57-21-20-34-79(88-57)84-73(62-35-43-71(44-36-62)92-80-47-39-66(58-22-8-2-9-23-58)51-75(80)76-52-67(40-48-81(76)92)59-24-10-3-11-25-59)55-70(87-90-85(64-30-16-6-17-31-64)89-86(91-87)65-32-18-7-19-33-65)56-74(84)63-37-45-72(46-38-63)93-82-49-41-68(60-26-12-4-13-27-60)53-77(82)78-54-69(42-50-83(78)93)61-28-14-5-15-29-61/h2-56H,1H3
• InChIKey: UZBWFJHICRDBBH-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.46
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 139545276) is 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole is Cc1cccc(-c2c(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)n1.

What is the InChIKey of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole?

The InChIKey is UZBWFJHICRDBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58N6/c1-57-21-20-34-79(88-57)84-73(62-35-43-71(44-36-62)92-80-47-39-66(58-22-8-2-9-23-58)51-75(80)76-52-67(40-48-81(76)92)59-24-10-3-11-25-59)55-70(87-90-85(64-30-16-6-17-31-64)89-86(91-87)65-32-18-7-19-33-65)56-74(84)63-37-45-72(46-38-63)93-82-49-41-68(60-26-12-4-13-27-60)53-77(82)78-54-69(42-50-83(78)93)61-28-14-5-15-29-61/h2-56H,1H3.

What are the key properties of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole?

9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1187.46 g/mol, XLogP of 22.44, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(6-methyl-2-pyridinyl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 139545276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).