4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine

C56H40N2O — CID 176607745

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine
SMILESCc1cccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2c(C)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C56H40N2O/c1-37-18-17-23-42(32-37)57(55-38(2)33-41(39-19-5-3-6-20-39)34-48(55)40-21-7-4-8-22-40)43-35-49(56-50(36-43)47-27-12-16-31-54(47)59-56)46-26-11-15-30-53(46)58-51-28-13-9-24-44(51)45-25-10-14-29-52(45)58/h3-36H,1-2H3
InChIKeyZJFAAMKWFXDZSP-UHFFFAOYSA-N
MW756.95 g/mol
LogP15.77
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine (PubChem CID 176607745) 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-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine
PubChem CID176607745
Molecular FormulaC56H40N2O
Molecular Weight756.95 g/mol
Exact Mass756.31
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine
SMILESCc1cccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2c(C)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C56H40N2O/c1-37-18-17-23-42(32-37)57(55-38(2)33-41(39-19-5-3-6-20-39)34-48(55)40-21-7-4-8-22-40)43-35-49(56-50(36-43)47-27-12-16-31-54(47)59-56)46-26-11-15-30-53(46)58-51-28-13-9-24-44(51)45-25-10-14-29-52(45)58/h3-36H,1-2H3
InChIKeyZJFAAMKWFXDZSP-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-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
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-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
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-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116
4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176608198
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-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 176608195
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine (CID 176607745) is 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine is Cc1cccc(N(c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)c2c(C)cc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine?
The InChIKey is ZJFAAMKWFXDZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O/c1-37-18-17-23-42(32-37)57(55-38(2)33-41(39-19-5-3-6-20-39)34-48(55)40-21-7-4-8-22-40)43-35-49(56-50(36-43)47-27-12-16-31-54(47)59-56)46-26-11-15-30-53(46)58-51-28-13-9-24-44(51)45-25-10-14-29-52(45)58/h3-36H,1-2H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,6-diphenylphenyl)-N-(3-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-4,6-diphenylphenyl)-N-(3-methylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176607745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).