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

C77H52N6 — CID 158364667

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

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole (PubChem CID 158364667) has the molecular formula C77H52N6 and a molecular weight of 1061.31 g/mol. Its IUPAC name is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
• PubChem CID: 158364667
• Molecular Formula: C77H52N6
• Molecular Weight: 1061.31 g/mol
• Exact Mass: 1060.43
• IUPAC Name: 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1
• InChI: InChI=1S/C77H52N6/c1-49-41-43-55(50(2)45-49)53-42-44-73-63(46-53)60-31-13-22-40-72(60)83(73)74-64(61-32-14-20-38-70(61)81-66-34-16-9-27-56(66)57-28-10-17-35-67(57)81)47-54(77-79-75(51-23-5-3-6-24-51)78-76(80-77)52-25-7-4-8-26-52)48-65(74)62-33-15-21-39-71(62)82-68-36-18-11-29-58(68)59-30-12-19-37-69(59)82/h3-48H,1-2H3
• InChIKey: JDJNIUYPGGDGHL-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.31
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole (CID 158364667) is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole.

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

The canonical SMILES for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1.

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

The InChIKey is JDJNIUYPGGDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N6/c1-49-41-43-55(50(2)45-49)53-42-44-73-63(46-53)60-31-13-22-40-72(60)83(73)74-64(61-32-14-20-38-70(61)81-66-34-16-9-27-56(66)57-28-10-17-35-67(57)81)47-54(77-79-75(51-23-5-3-6-24-51)78-76(80-77)52-25-7-4-8-26-52)48-65(74)62-33-15-21-39-71(62)82-68-36-18-11-29-58(68)59-30-12-19-37-69(59)82/h3-48H,1-2H3.

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

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole has a molecular weight of 1061.31 g/mol, XLogP of 19.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 158364667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).