3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole

C66H50N4 — CID 71232676

About 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole

3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole (PubChem CID 71232676) has the molecular formula C66H50N4 and a molecular weight of 899.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
• PubChem CID: 71232676
• Molecular Formula: C66H50N4
• Molecular Weight: 899.15 g/mol
• Exact Mass: 898.40
• IUPAC Name: 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
• SMILES: Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C)c(C)cc4C)ccc32)c(C)c1
• InChI: InChI=1S/C66H50N4/c1-39-31-43(5)66(44(6)32-39)70-60-22-14-10-18-52(60)54-36-46(24-28-64(54)70)45-23-27-61-53(35-45)51-17-9-13-21-59(51)68(61)48-26-30-63-56(38-48)55-37-47(25-29-62(55)69(63)65-34-41(3)40(2)33-42(65)4)67-57-19-11-7-15-49(57)50-16-8-12-20-58(50)67/h7-38H,1-6H3
• InChIKey: JRZZTMCFHLOPOM-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.15
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole (CID 71232676) is 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole is Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C)c(C)cc4C)ccc32)c(C)c1.

What is the InChIKey of 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole?

The InChIKey is JRZZTMCFHLOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4/c1-39-31-43(5)66(44(6)32-39)70-60-22-14-10-18-52(60)54-36-46(24-28-64(54)70)45-23-27-61-53(35-45)51-17-9-13-21-59(51)68(61)48-26-30-63-56(38-48)55-37-47(25-29-62(55)69(63)65-34-41(3)40(2)33-42(65)4)67-57-19-11-7-15-49(57)50-16-8-12-20-58(50)67/h7-38H,1-6H3.

What are the key properties of 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole?

3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole has a molecular weight of 899.15 g/mol, XLogP of 17.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 71232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).