3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline

C58H42N2 — CID 166659537

About 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline

3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 166659537) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
• PubChem CID: 166659537
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
• SMILES: C1=CC(c2cccc3c2c2cc4ccccc4cc2n3-c2ccccc2)=CC(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
• InChI: InChI=1S/C58H42N2/c1-5-17-41(18-6-1)44-31-33-51(34-32-44)59(53-37-48(42-19-7-2-8-20-42)35-49(38-53)43-21-9-3-10-22-43)52-28-15-25-47(36-52)54-29-16-30-56-58(54)55-39-45-23-13-14-24-46(45)40-57(55)60(56)50-26-11-4-12-27-50/h1-27,29-40,52H,28H2
• InChIKey: QGZUFTILZRZWPT-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline (CID 166659537) is 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline is C1=CC(c2cccc3c2c2cc4ccccc4cc2n3-c2ccccc2)=CC(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1.

What is the InChIKey of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline?

The InChIKey is QGZUFTILZRZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-5-17-41(18-6-1)44-31-33-51(34-32-44)59(53-37-48(42-19-7-2-8-20-42)35-49(38-53)43-21-9-3-10-22-43)52-28-15-25-47(36-52)54-29-16-30-56-58(54)55-39-45-23-13-14-24-46(45)40-57(55)60(56)50-26-11-4-12-27-50/h1-27,29-40,52H,28H2.

What are the key properties of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline?

3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 766.99 g/mol, XLogP of 15.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166659537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).