N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine

C66H47N3O — CID 90207063

About N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine

N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 90207063) has the molecular formula C66H47N3O and a molecular weight of 898.12 g/mol. Its IUPAC name is N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 90207063
• Molecular Formula: C66H47N3O
• Molecular Weight: 898.12 g/mol
• Exact Mass: 897.37
• IUPAC Name: N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
• SMILES: C1=CC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CC=C1c1cc(-c2ccccc2)cc(-c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)c1
• InChI: InChI=1S/C66H47N3O/c1-5-17-46(18-6-1)49-41-50(43-51(42-49)48-31-35-56(36-32-48)68(53-21-9-3-10-22-53)58-38-40-66-62(45-58)60-26-14-16-28-65(60)70-66)47-29-33-55(34-30-47)67(52-19-7-2-8-20-52)57-37-39-64-61(44-57)59-25-13-15-27-63(59)69(64)54-23-11-4-12-24-54/h1-33,35-45,55H,34H2
• InChIKey: HUWCBSZQOOKGPS-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.12
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine (CID 90207063) is N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine is C1=CC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CC=C1c1cc(-c2ccccc2)cc(-c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)c1.

What is the InChIKey of N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is HUWCBSZQOOKGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3O/c1-5-17-46(18-6-1)49-41-50(43-51(42-49)48-31-35-56(36-32-48)68(53-21-9-3-10-22-53)58-38-40-66-62(45-58)60-26-14-16-28-65(60)70-66)47-29-33-55(34-30-47)67(52-19-7-2-8-20-52)57-37-39-64-61(44-57)59-25-13-15-27-63(59)69(64)54-23-11-4-12-24-54/h1-33,35-45,55H,34H2.

What are the key properties of N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine?

N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 898.12 g/mol, XLogP of 18.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 90207063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).