9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

C68H50N4 — CID 155462522

About 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (PubChem CID 155462522) has the molecular formula C68H50N4 and a molecular weight of 923.18 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
• PubChem CID: 155462522
• Molecular Formula: C68H50N4
• Molecular Weight: 923.18 g/mol
• Exact Mass: 922.40
• IUPAC Name: 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1
• InChI: InChI=1S/C68H50N4/c1-43-27-32-52(45(3)37-43)49-30-35-65-58(39-49)59-40-50(53-33-28-44(2)38-46(53)4)31-36-66(59)72(65)67-41-51(61-42-60(47-17-7-5-8-18-47)69-68(70-61)48-19-9-6-10-20-48)29-34-57(67)56-23-13-16-26-64(56)71-62-24-14-11-21-54(62)55-22-12-15-25-63(55)71/h5-42H,1-4H3
• InChIKey: FVMAYRMBIHBCOO-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.18
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (CID 155462522) is 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1.

What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

The InChIKey is FVMAYRMBIHBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N4/c1-43-27-32-52(45(3)37-43)49-30-35-65-58(39-49)59-40-50(53-33-28-44(2)38-46(53)4)31-36-66(59)72(65)67-41-51(61-42-60(47-17-7-5-8-18-47)69-68(70-61)48-19-9-6-10-20-48)29-34-57(67)56-23-13-16-26-64(56)71-62-24-14-11-21-54(62)55-22-12-15-25-63(55)71/h5-42H,1-4H3.

What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?

9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 923.18 g/mol, XLogP of 17.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 155462522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).