9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C96H58N16 — CID 134296233

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

9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 134296233) has the molecular formula C96H58N16 and a molecular weight of 1435.63 g/mol. Its IUPAC name is 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 134296233
• Molecular Formula: C96H58N16
• Molecular Weight: 1435.63 g/mol
• Exact Mass: 1434.50
• IUPAC Name: 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccncc2)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
• InChI: InChI=1S/C96H58N16/c1-97-78-59-83(111-79-46-42-69(93-103-85(61-26-10-2-11-27-61)99-86(104-93)62-28-12-3-13-29-62)54-74(79)75-55-70(43-47-80(75)111)94-105-87(63-30-14-4-15-31-63)100-88(106-94)64-32-16-5-17-33-64)73(60-50-52-98-53-51-60)58-84(78)112-81-48-44-71(95-107-89(65-34-18-6-19-35-65)101-90(108-95)66-36-20-7-21-37-66)56-76(81)77-57-72(45-49-82(77)112)96-109-91(67-38-22-8-23-39-67)102-92(110-96)68-40-24-9-25-41-68/h2-59H
• InChIKey: VDHRMPUVSVTSBV-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 181.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.63
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 134296233) is 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

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

The canonical SMILES for 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is [C-]#[N+]c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccncc2)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.

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

The InChIKey is VDHRMPUVSVTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H58N16/c1-97-78-59-83(111-79-46-42-69(93-103-85(61-26-10-2-11-27-61)99-86(104-93)62-28-12-3-13-29-62)54-74(79)75-55-70(43-47-80(75)111)94-105-87(63-30-14-4-15-31-63)100-88(106-94)64-32-16-5-17-33-64)73(60-50-52-98-53-51-60)58-84(78)112-81-48-44-71(95-107-89(65-34-18-6-19-35-65)101-90(108-95)66-36-20-7-21-37-66)56-76(81)77-57-72(45-49-82(77)112)96-109-91(67-38-22-8-23-39-67)102-92(110-96)68-40-24-9-25-41-68/h2-59H.

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

9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1435.63 g/mol, XLogP of 22.24, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 134296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).