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

C78H55N5 — CID 146281302

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

2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 146281302) has the molecular formula C78H55N5 and a molecular weight of 1062.33 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 146281302
• Molecular Formula: C78H55N5
• Molecular Weight: 1062.33 g/mol
• Exact Mass: 1061.45
• IUPAC Name: 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3ccccc3)cc2)c(C)c1
• InChI: InChI=1S/C78H55N5/c1-50-44-51(2)74(52(3)45-50)61-40-43-72-69(46-61)66-42-41-63(82-70-30-18-16-28-64(70)65-29-17-19-31-71(65)82)49-73(66)83(72)75-67(57-36-32-55(33-37-57)53-20-8-4-9-21-53)47-62(48-68(75)58-38-34-56(35-39-58)54-22-10-5-11-23-54)78-80-76(59-24-12-6-13-25-59)79-77(81-78)60-26-14-7-15-27-60/h4-49H,1-3H3
• InChIKey: MLQRXYSAZJZNHP-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.33
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole (CID 146281302) is 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole.

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

The canonical SMILES for 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3ccccc3)cc2)c(C)c1.

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

The InChIKey is MLQRXYSAZJZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N5/c1-50-44-51(2)74(52(3)45-50)61-40-43-72-69(46-61)66-42-41-63(82-70-30-18-16-28-64(70)65-29-17-19-31-71(65)82)49-73(66)83(72)75-67(57-36-32-55(33-37-57)53-20-8-4-9-21-53)47-62(48-68(75)58-38-34-56(35-39-58)54-22-10-5-11-23-54)78-80-76(59-24-12-6-13-25-59)79-77(81-78)60-26-14-7-15-27-60/h4-49H,1-3H3.

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

2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1062.33 g/mol, XLogP of 20.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146281302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).