3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline

C56H43ClN2 — CID 166084525

About 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline

3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline (PubChem CID 166084525) has the molecular formula C56H43ClN2 and a molecular weight of 779.43 g/mol. Its IUPAC name is 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
• PubChem CID: 166084525
• Molecular Formula: C56H43ClN2
• Molecular Weight: 779.43 g/mol
• Exact Mass: 778.31
• IUPAC Name: 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
• SMILES: Cc1cc(C)c(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc(Cl)c(C)c(-c4cccc5c4[nH]c4ccc6ccccc6c45)c3)cc2)c(C)c1
• InChI: InChI=1S/C56H43ClN2/c1-35-28-36(2)54(37(3)29-35)42-22-25-45(26-23-42)59(46-31-43(39-14-7-5-8-15-39)30-44(32-46)40-16-9-6-10-17-40)47-33-51(38(4)52(57)34-47)49-20-13-21-50-55-48-19-12-11-18-41(48)24-27-53(55)58-56(49)50/h5-34,58H,1-4H3
• InChIKey: BIFHZRDZOVFDJS-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 19.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.43
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?

The IUPAC name of 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline (CID 166084525) is 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline.

What is the SMILES notation for 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?

The canonical SMILES for 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline is Cc1cc(C)c(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc(Cl)c(C)c(-c4cccc5c4[nH]c4ccc6ccccc6c45)c3)cc2)c(C)c1.

What is the InChIKey of 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?

The InChIKey is BIFHZRDZOVFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43ClN2/c1-35-28-36(2)54(37(3)29-35)42-22-25-45(26-23-42)59(46-31-43(39-14-7-5-8-15-39)30-44(32-46)40-16-9-6-10-17-40)47-33-51(38(4)52(57)34-47)49-20-13-21-50-55-48-19-12-11-18-41(48)24-27-53(55)58-56(49)50/h5-34,58H,1-4H3.

What are the key properties of 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?

3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline has a molecular weight of 779.43 g/mol, XLogP of 16.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7H-benzo[g]carbazol-8-yl)-5-chloro-N-(3,5-diphenylphenyl)-4-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline is sourced from PubChem (CID 166084525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).