4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C56H40N2O — CID 176609311

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc(C)c1-c1ccccc1
InChIInChI=1S/C56H40N2O/c1-37-35-43(36-38(2)54(37)41-19-7-4-8-20-41)57(42-31-29-40(30-32-42)39-17-5-3-6-18-39)52-34-33-47(56-55(52)48-24-12-16-28-53(48)59-56)46-23-11-15-27-51(46)58-49-25-13-9-21-44(49)45-22-10-14-26-50(45)58/h3-36H,1-2H3
InChIKeyJJTRHQRFIPRKCC-UHFFFAOYSA-N
MW756.95 g/mol
LogP15.77
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176609311) has the molecular formula C56H40N2O and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176609311
Molecular FormulaC56H40N2O
Molecular Weight756.95 g/mol
Exact Mass756.31
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc(C)c1-c1ccccc1
InChIInChI=1S/C56H40N2O/c1-37-35-43(36-38(2)54(37)41-19-7-4-8-20-41)57(42-31-29-40(30-32-42)39-17-5-3-6-18-39)52-34-33-47(56-55(52)48-24-12-16-28-53(48)59-56)46-23-11-15-27-51(46)58-49-25-13-9-21-44(49)45-22-10-14-26-50(45)58/h3-36H,1-2H3
InChIKeyJJTRHQRFIPRKCC-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-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609431
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
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-(2,6-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608368
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608759
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608419
4-(2-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609204
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176609311) is 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)cc(C)c1-c1ccccc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is JJTRHQRFIPRKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O/c1-37-35-43(36-38(2)54(37)41-19-7-4-8-20-41)57(42-31-29-40(30-32-42)39-17-5-3-6-18-39)52-34-33-47(56-55(52)48-24-12-16-28-53(48)59-56)46-23-11-15-27-51(46)58-49-25-13-9-21-44(49)45-22-10-14-26-50(45)58/h3-36H,1-2H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-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-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).