3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole

C53H34N6 — CID 144645731

About 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 144645731) has the molecular formula C53H34N6 and a molecular weight of 754.90 g/mol. Its IUPAC name is 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 144645731
• Molecular Formula: C53H34N6
• Molecular Weight: 754.90 g/mol
• Exact Mass: 754.28
• IUPAC Name: 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccn4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc34)c2)cc1
• InChI: InChI=1S/C53H34N6/c1-4-15-35(16-5-1)39-33-46(36-17-6-2-7-18-36)54-47(34-39)43-23-14-30-57-52(43)55-53(56-57)59-49-25-13-11-22-42(49)45-32-38(27-29-51(45)59)37-26-28-50-44(31-37)41-21-10-12-24-48(41)58(50)40-19-8-3-9-20-40/h1-34H
• InChIKey: KWJRKGUKIMYDQO-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 52.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.90
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 144645731) is 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccn4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc34)c2)cc1.

What is the InChIKey of 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is KWJRKGUKIMYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N6/c1-4-15-35(16-5-1)39-33-46(36-17-6-2-7-18-36)54-47(34-39)43-23-14-30-57-52(43)55-53(56-57)59-49-25-13-11-22-42(49)45-32-38(27-29-51(45)59)37-26-28-50-44(31-37)41-21-10-12-24-48(41)58(50)40-19-8-3-9-20-40/h1-34H.

What are the key properties of 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole?

3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 754.90 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[8-(4,6-diphenyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144645731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).