4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine

C56H36N2O — CID 176608198

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2O/c1-2-19-39(20-3-1)57(40-21-16-18-37(33-40)49-34-38-17-4-5-22-42(38)43-23-6-7-24-44(43)49)41-35-50(56-51(36-41)48-28-11-15-32-55(48)59-56)47-27-10-14-31-54(47)58-52-29-12-8-25-45(52)46-26-9-13-30-53(46)58/h1-36H
InChIKeySPQTWZKUPURXPZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 176608198) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
PubChem CID176608198
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N2O/c1-2-19-39(20-3-1)57(40-21-16-18-37(33-40)49-34-38-17-4-5-22-42(38)43-23-6-7-24-44(43)49)41-35-50(56-51(36-41)48-28-11-15-32-55(48)59-56)47-27-10-14-31-54(47)58-52-29-12-8-25-45(52)46-26-9-13-30-53(46)58/h1-36H
InChIKeySPQTWZKUPURXPZ-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 157430442
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 176608195
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609353
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine
CID 139545244
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-phenanthren-2-ylaniline
CID 139544384
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 176608126
3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
CID 139544391
4-(2-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609935
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 139545044

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine (CID 176608198) is 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine is c1ccc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is SPQTWZKUPURXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-19-39(20-3-1)57(40-21-16-18-37(33-40)49-34-38-17-4-5-22-42(38)43-23-6-7-24-44(43)49)41-35-50(56-51(36-41)48-28-11-15-32-55(48)59-56)47-27-10-14-31-54(47)58-52-29-12-8-25-45(52)46-26-9-13-30-53(46)58/h1-36H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 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-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 176608198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).