4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine

C55H38N2O — CID 176609757

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
SMILESCc1ccccc1N(c1ccc(-c2ccccc2)c(-c2ccccc2)c1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12
InChIInChI=1S/C55H38N2O/c1-37-17-8-12-27-49(37)56(42-31-32-43(38-18-4-2-5-19-38)48(36-42)39-20-6-3-7-21-39)52-34-33-44(55-54(52)47-26-11-15-30-53(47)58-55)40-22-16-23-41(35-40)57-50-28-13-9-24-45(50)46-25-10-14-29-51(46)57/h2-36H,1H3
InChIKeyAUBVWJBADRHNJK-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.46
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine (PubChem CID 176609757) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
PubChem CID176609757
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
SMILESCc1ccccc1N(c1ccc(-c2ccccc2)c(-c2ccccc2)c1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12
InChIInChI=1S/C55H38N2O/c1-37-17-8-12-27-49(37)56(42-31-32-43(38-18-4-2-5-19-38)48(36-42)39-20-6-3-7-21-39)52-34-33-44(55-54(52)47-26-11-15-30-53(47)58-55)40-22-16-23-41(35-40)57-50-28-13-9-24-45(50)46-25-10-14-29-51(46)57/h2-36H,1H3
InChIKeyAUBVWJBADRHNJK-UHFFFAOYSA-N
XLogP15.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
4-(4-carbazol-9-ylphenyl)-N-(2,4-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176608299
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
CID 176609843
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine (CID 176609757) is 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine is Cc1ccccc1N(c1ccc(-c2ccccc2)c(-c2ccccc2)c1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine?
The InChIKey is AUBVWJBADRHNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-37-17-8-12-27-49(37)56(42-31-32-43(38-18-4-2-5-19-38)48(36-42)39-20-6-3-7-21-39)52-34-33-44(55-54(52)47-26-11-15-30-53(47)58-55)40-22-16-23-41(35-40)57-50-28-13-9-24-45(50)46-25-10-14-29-51(46)57/h2-36H,1H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine has a molecular weight of 742.92 g/mol, XLogP of 15.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).