N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

C60H42N2O — CID 154947312

About N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (PubChem CID 154947312) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
• PubChem CID: 154947312
• Molecular Formula: C60H42N2O
• Molecular Weight: 807.01 g/mol
• Exact Mass: 806.33
• IUPAC Name: N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
• SMILES: C1=C(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)=C1
• InChI: InChI=1S/C60H42N2O/c1-2-13-41(14-3-1)42-27-33-48(34-28-42)61(50-37-31-44(32-38-50)52-22-12-23-56-55-21-6-9-26-59(55)63-60(52)56)49-35-29-43(30-36-49)45-15-10-16-46(39-45)47-17-11-18-51(40-47)62-57-24-7-4-19-53(57)54-20-5-8-25-58(54)62/h1-29,31-35,37-40H,30,36H2
• InChIKey: HZABXPRNOLUGAN-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.01
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?

The IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (CID 154947312) is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.

What is the SMILES notation for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?

The canonical SMILES for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is C1=C(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)=C1.

What is the InChIKey of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?

The InChIKey is HZABXPRNOLUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-2-13-41(14-3-1)42-27-33-48(34-28-42)61(50-37-31-44(32-38-50)52-22-12-23-56-55-21-6-9-26-59(55)63-60(52)56)49-35-29-43(30-36-49)45-15-10-16-46(39-45)47-17-11-18-51(40-47)62-57-24-7-4-19-53(57)54-20-5-8-25-58(54)62/h1-29,31-35,37-40H,30,36H2.

What are the key properties of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline has a molecular weight of 807.01 g/mol, XLogP of 16.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 154947312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).