3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole

C63H40N6 — CID 121401468

About 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole

3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 121401468) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 121401468
• Molecular Formula: C63H40N6
• Molecular Weight: 881.06 g/mol
• Exact Mass: 880.33
• IUPAC Name: 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C63H40N6/c1-4-20-41(21-5-1)61-64-62(42-22-6-2-7-23-42)66-63(65-61)50-31-19-37-58(60(50)69-53-33-15-10-26-46(53)47-27-11-16-34-54(47)69)68-55-35-17-13-29-49(55)59-45(30-18-36-57(59)68)43-38-39-56-51(40-43)48-28-12-14-32-52(48)67(56)44-24-8-3-9-25-44/h1-40H
• InChIKey: WISMWNRLIZQUGK-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.06
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 121401468) is 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole?

The InChIKey is WISMWNRLIZQUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6/c1-4-20-41(21-5-1)61-64-62(42-22-6-2-7-23-42)66-63(65-61)50-31-19-37-58(60(50)69-53-33-15-10-26-46(53)47-27-11-16-34-54(47)69)68-55-35-17-13-29-49(55)59-45(30-18-36-57(59)68)43-38-39-56-51(40-43)48-28-12-14-32-52(48)67(56)44-24-8-3-9-25-44/h1-40H.

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

3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 881.06 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 121401468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).