4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine

C56H40N2O — CID 176609116

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
SMILESCc1ccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C56H40N2O/c1-37-29-31-41(32-30-37)57(54-36-48(40-19-7-4-8-20-40)47(33-38(54)2)39-17-5-3-6-18-39)42-34-49(56-50(35-42)46-24-12-16-28-55(46)59-56)45-23-11-15-27-53(45)58-51-25-13-9-21-43(51)44-22-10-14-26-52(44)58/h3-36H,1-2H3
InChIKeyIVZNZOXUJHIADE-UHFFFAOYSA-N
MW756.95 g/mol
LogP15.77
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine (PubChem CID 176609116) has the molecular formula C56H40N2O and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
PubChem CID176609116
Molecular FormulaC56H40N2O
Molecular Weight756.95 g/mol
Exact Mass756.31
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
SMILESCc1ccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C56H40N2O/c1-37-29-31-41(32-30-37)57(54-36-48(40-19-7-4-8-20-40)47(33-38(54)2)39-17-5-3-6-18-39)42-34-49(56-50(35-42)46-24-12-16-28-55(46)59-56)45-23-11-15-27-53(45)58-51-25-13-9-21-43(51)44-22-10-14-26-52(44)58/h3-36H,1-2H3
InChIKeyIVZNZOXUJHIADE-UHFFFAOYSA-N
XLogP15.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608369
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
4-(2-carbazol-9-ylphenyl)-N-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609353
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine
CID 176607745
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176608198
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608419
4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609660

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine (CID 176609116) is 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine is Cc1ccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine?
The InChIKey is IVZNZOXUJHIADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O/c1-37-29-31-41(32-30-37)57(54-36-48(40-19-7-4-8-20-40)47(33-38(54)2)39-17-5-3-6-18-39)42-34-49(56-50(35-42)46-24-12-16-28-55(46)59-56)45-23-11-15-27-53(45)58-51-25-13-9-21-43(51)44-22-10-14-26-52(44)58/h3-36H,1-2H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine has a molecular weight of 756.95 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176609116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).