3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

C67H51N5 — CID 146521279

About 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 146521279) has the molecular formula C67H51N5 and a molecular weight of 926.18 g/mol. Its IUPAC name is 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 146521279
• Molecular Formula: C67H51N5
• Molecular Weight: 926.18 g/mol
• Exact Mass: 925.41
• IUPAC Name: 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2cc(N4c5ccccc5C5(C)C=CC=CC45)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1
• InChI: InChI=1S/C67H51N5/c1-43-37-44(2)62(45(3)38-43)50-32-34-58-55(39-50)56-42-52(71-60-30-18-17-29-57(60)67(4)36-20-19-31-61(67)71)33-35-59(56)72(58)63-53(46-21-9-5-10-22-46)40-51(41-54(63)47-23-11-6-12-24-47)66-69-64(48-25-13-7-14-26-48)68-65(70-66)49-27-15-8-16-28-49/h5-42,61H,1-4H3
• InChIKey: OZRGABOFUIKZSQ-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.18
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (CID 146521279) is 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(N4c5ccccc5C5(C)C=CC=CC45)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1.

What is the InChIKey of 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is OZRGABOFUIKZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N5/c1-43-37-44(2)62(45(3)38-43)50-32-34-58-55(39-50)56-42-52(71-60-30-18-17-29-57(60)67(4)36-20-19-31-61(67)71)33-35-59(56)72(58)63-53(46-21-9-5-10-22-46)40-51(41-54(63)47-23-11-6-12-24-47)66-69-64(48-25-13-7-14-26-48)68-65(70-66)49-27-15-8-16-28-49/h5-42,61H,1-4H3.

What are the key properties of 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?

3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 926.18 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146521279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).