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

C69H45N5 — CID 150934071

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole (PubChem CID 150934071) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
• PubChem CID: 150934071
• Molecular Formula: C69H45N5
• Molecular Weight: 944.15 g/mol
• Exact Mass: 943.37
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cc(-c6cccc(-c7ccccc7)c6)ccc54)c3)c2)cc1
• InChI: InChI=1S/C69H45N5/c1-5-19-46(20-6-1)50-27-17-29-52(39-50)54-35-37-65-61(43-54)59-31-13-15-33-63(59)73(65)57-41-56(69-71-67(48-23-9-3-10-24-48)70-68(72-69)49-25-11-4-12-26-49)42-58(45-57)74-64-34-16-14-32-60(64)62-44-55(36-38-66(62)74)53-30-18-28-51(40-53)47-21-7-2-8-22-47/h1-45H
• InChIKey: LGQMKOWUXWNDJX-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.15
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole (CID 150934071) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole.

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

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cc(-c6cccc(-c7ccccc7)c6)ccc54)c3)c2)cc1.

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

The InChIKey is LGQMKOWUXWNDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-5-19-46(20-6-1)50-27-17-29-52(39-50)54-35-37-65-61(43-54)59-31-13-15-33-63(59)73(65)57-41-56(69-71-67(48-23-9-3-10-24-48)70-68(72-69)49-25-11-4-12-26-49)42-58(45-57)74-64-34-16-14-32-60(64)62-44-55(36-38-66(62)74)53-30-18-28-51(40-53)47-21-7-2-8-22-47/h1-45H.

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole is sourced from PubChem (CID 150934071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).