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

C67H49N5 — CID 155279556

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

9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (PubChem CID 155279556) has the molecular formula C67H49N5 and a molecular weight of 924.16 g/mol. Its IUPAC name is 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
• PubChem CID: 155279556
• Molecular Formula: C67H49N5
• Molecular Weight: 924.16 g/mol
• Exact Mass: 923.40
• IUPAC Name: 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C67H49N5/c1-42-33-43(2)36-51(35-42)48-27-30-62-56(39-48)57-40-49(52-37-44(3)34-45(4)38-52)28-31-63(57)72(62)64-32-29-50(53-21-11-14-24-59(53)71-60-25-15-12-22-54(60)55-23-13-16-26-61(55)71)41-58(64)67-69-65(46-17-7-5-8-18-46)68-66(70-67)47-19-9-6-10-20-47/h5-41H,1-4H3
• InChIKey: LOMCNYCQKZUFPA-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.16
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (CID 155279556) is 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

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

The canonical SMILES for 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is LOMCNYCQKZUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5/c1-42-33-43(2)36-51(35-42)48-27-30-62-56(39-48)57-40-49(52-37-44(3)34-45(4)38-52)28-31-63(57)72(62)64-32-29-50(53-21-11-14-24-59(53)71-60-25-15-12-22-54(60)55-23-13-16-26-61(55)71)41-58(64)67-69-65(46-17-7-5-8-18-46)68-66(70-67)47-19-9-6-10-20-47/h5-41H,1-4H3.

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

9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole has a molecular weight of 924.16 g/mol, XLogP of 17.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 155279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).