N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline

C58H46N2 — CID 139339392

About N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline

N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 139339392) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
• PubChem CID: 139339392
• Molecular Formula: C58H46N2
• Molecular Weight: 771.02 g/mol
• Exact Mass: 770.37
• IUPAC Name: N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
• SMILES: C1=CCCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(C4=CCCC=C4c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)=CC3)cc2)=C1
• InChI: InChI=1S/C58H46N2/c1-3-13-41(14-4-1)43-23-32-48(33-24-43)59(49-34-25-44(26-35-49)42-15-5-2-6-16-42)50-36-27-46(28-37-50)52-18-9-10-19-53(52)47-29-38-51(39-30-47)60-57-22-12-11-21-55(57)56-40-31-45-17-7-8-20-54(45)58(56)60/h1-5,7-8,11-15,17-36,38-40,50H,6,9-10,16,37H2
• InChIKey: TWDNEBJKIBTFOS-UHFFFAOYSA-N
• XLogP: 15.53
• 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	771.02
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline (CID 139339392) is N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline is C1=CCCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(C4=CCCC=C4c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)=CC3)cc2)=C1.

What is the InChIKey of N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline?

The InChIKey is TWDNEBJKIBTFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-3-13-41(14-4-1)43-23-32-48(33-24-43)59(49-34-25-44(26-35-49)42-15-5-2-6-16-42)50-36-27-46(28-37-50)52-18-9-10-19-53(52)47-29-38-51(39-30-47)60-57-22-12-11-21-55(57)56-40-31-45-17-7-8-20-54(45)58(56)60/h1-5,7-8,11-15,17-36,38-40,50H,6,9-10,16,37H2.

What are the key properties of N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline?

N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 771.02 g/mol, XLogP of 15.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 139339392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).