N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine

C56H36N2O — CID 155398716

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H36N2O/c1-2-13-44-39(12-1)24-25-40-30-35-43(36-50(40)44)57(51-19-7-5-16-47(51)48-18-11-23-55-56(48)49-17-6-10-22-54(49)59-55)41-31-26-37(27-32-41)38-28-33-42(34-29-38)58-52-20-8-3-14-45(52)46-15-4-9-21-53(46)58/h1-36H
InChIKeyWIQWGPWYGPMIQW-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine (PubChem CID 155398716) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
PubChem CID155398716
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H36N2O/c1-2-13-44-39(12-1)24-25-40-30-35-43(36-50(40)44)57(51-19-7-5-16-47(51)48-18-11-23-55-56(48)49-17-6-10-22-54(49)59-55)41-31-26-37(27-32-41)38-28-33-42(34-29-38)58-52-20-8-3-14-45(52)46-15-4-9-21-53(46)58/h1-36H
InChIKeyWIQWGPWYGPMIQW-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-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398542
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
CID 153314948
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine
CID 155398009
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398770
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 157152431

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine (CID 155398716) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine?
The InChIKey is WIQWGPWYGPMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-13-44-39(12-1)24-25-40-30-35-43(36-50(40)44)57(51-19-7-5-16-47(51)48-18-11-23-55-56(48)49-17-6-10-22-54(49)59-55)41-31-26-37(27-32-41)38-28-33-42(34-29-38)58-52-20-8-3-14-45(52)46-15-4-9-21-53(46)58/h1-36H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-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 N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 155398716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).