4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine

C55H38N2O — CID 176609935

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
SMILESCc1cc(N(c2ccccc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C55H38N2O/c1-37-33-41(34-47(38-19-5-2-6-20-38)54(37)39-21-7-3-8-22-39)56(40-23-9-4-10-24-40)42-35-48(55-49(36-42)46-28-14-18-32-53(46)58-55)45-27-13-17-31-52(45)57-50-29-15-11-25-43(50)44-26-12-16-30-51(44)57/h2-36H,1H3
InChIKeyBGMMWAHKYDZAPJ-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.46
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 176609935) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
PubChem CID176609935
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
SMILESCc1cc(N(c2ccccc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C55H38N2O/c1-37-33-41(34-47(38-19-5-2-6-20-38)54(37)39-21-7-3-8-22-39)56(40-23-9-4-10-24-40)42-35-48(55-49(36-42)46-28-14-18-32-53(46)58-55)45-27-13-17-31-52(45)57-50-29-15-11-25-43(50)44-26-12-16-30-51(44)57/h2-36H,1H3
InChIKeyBGMMWAHKYDZAPJ-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-(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-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116
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-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176608198
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176607810
4-(2-carbazol-9-ylphenyl)-N-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608653
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine (CID 176609935) is 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine is Cc1cc(N(c2ccccc2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is BGMMWAHKYDZAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-37-33-41(34-47(38-19-5-2-6-20-38)54(37)39-21-7-3-8-22-39)56(40-23-9-4-10-24-40)42-35-48(55-49(36-42)46-28-14-18-32-53(46)58-55)45-27-13-17-31-52(45)57-50-29-15-11-25-43(50)44-26-12-16-30-51(44)57/h2-36H,1H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-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-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 176609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).