3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C58H50N2 — CID 166895445

About 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166895445) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 166895445
• Molecular Formula: C58H50N2
• Molecular Weight: 775.05 g/mol
• Exact Mass: 774.40
• IUPAC Name: 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1C(C)(C)C1=CC(C2C=CC=C(n3c4ccccc4c4ccccc43)C2)=CCC1
• InChI: InChI=1S/C58H50N2/c1-41-28-35-52(59(49-21-8-5-9-22-49)50-36-33-45(34-37-50)44-31-29-43(30-32-44)42-16-6-4-7-17-42)40-55(41)58(2,3)48-20-14-18-46(38-48)47-19-15-23-51(39-47)60-56-26-12-10-24-53(56)54-25-11-13-27-57(54)60/h4-13,15-19,21-38,40,47H,14,20,39H2,1-3H3
• InChIKey: CTBHWUVASCHNKT-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.05
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166895445) is 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1C(C)(C)C1=CC(C2C=CC=C(n3c4ccccc4c4ccccc43)C2)=CCC1.

What is the InChIKey of 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is CTBHWUVASCHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2/c1-41-28-35-52(59(49-21-8-5-9-22-49)50-36-33-45(34-37-50)44-31-29-43(30-32-44)42-16-6-4-7-17-42)40-55(41)58(2,3)48-20-14-18-46(38-48)47-19-15-23-51(39-47)60-56-26-12-10-24-53(56)54-25-11-13-27-57(54)60/h4-13,15-19,21-38,40,47H,14,20,39H2,1-3H3.

What are the key properties of 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?

3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 775.05 g/mol, XLogP of 15.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166895445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).