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

C83H60N10 — CID 166759147

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

9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole (PubChem CID 166759147) has the molecular formula C83H60N10 and a molecular weight of 1197.46 g/mol. Its IUPAC name is 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole
• PubChem CID: 166759147
• Molecular Formula: C83H60N10
• Molecular Weight: 1197.46 g/mol
• Exact Mass: 1196.50
• IUPAC Name: 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)n1
• InChI: InChI=1S/C83H60N10/c1-49-27-35-69-62(41-49)63-42-50(2)28-36-70(63)91(69)75-48-61(76(92-71-37-29-51(3)43-64(71)65-44-52(4)30-38-72(65)92)83(84-75)93-73-39-31-53(5)45-66(73)67-46-54(6)32-40-74(67)93)59-33-34-60(81-87-77(55-19-11-7-12-20-55)85-78(88-81)56-21-13-8-14-22-56)68(47-59)82-89-79(57-23-15-9-16-24-57)86-80(90-82)58-25-17-10-18-26-58/h7-48H,1-6H3
• InChIKey: DYWBMIVJRXFROI-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.46
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole (CID 166759147) is 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole.

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

The canonical SMILES for 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)n1.

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

The InChIKey is DYWBMIVJRXFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H60N10/c1-49-27-35-69-62(41-49)63-42-50(2)28-36-70(63)91(69)75-48-61(76(92-71-37-29-51(3)43-64(71)65-44-52(4)30-38-72(65)92)83(84-75)93-73-39-31-53(5)45-66(73)67-46-54(6)32-40-74(67)93)59-33-34-60(81-87-77(55-19-11-7-12-20-55)85-78(88-81)56-21-13-8-14-22-56)68(47-59)82-89-79(57-23-15-9-16-24-57)86-80(90-82)58-25-17-10-18-26-58/h7-48H,1-6H3.

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

9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole has a molecular weight of 1197.46 g/mol, XLogP of 20.26, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 166759147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).