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

C56H36N2O — CID 155398236

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C56H36N2O/c1-2-15-42-39(14-1)36-53(46-18-4-3-17-45(42)46)57(41-34-30-38(31-35-41)44-22-13-27-55-56(44)49-21-8-12-26-54(49)59-55)40-32-28-37(29-33-40)43-16-5-9-23-50(43)58-51-24-10-6-19-47(51)48-20-7-11-25-52(48)58/h1-36H
InChIKeyCTUWALSLJHHUSZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine (PubChem CID 155398236) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
PubChem CID155398236
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C56H36N2O/c1-2-15-42-39(14-1)36-53(46-18-4-3-17-45(42)46)57(41-34-30-38(31-35-41)44-22-13-27-55-56(44)49-21-8-12-26-54(49)59-55)40-32-28-37(29-33-40)43-16-5-9-23-50(43)58-51-24-10-6-19-47(51)48-20-7-11-25-52(48)58/h1-36H
InChIKeyCTUWALSLJHHUSZ-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

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609353
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155398674
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234272
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 139545332
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 139545044
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
CID 155649226
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 158458035
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235820
N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine;N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine;N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 157329291
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine (CID 155398236) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine?
The InChIKey is CTUWALSLJHHUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-15-42-39(14-1)36-53(46-18-4-3-17-45(42)46)57(41-34-30-38(31-35-41)44-22-13-27-55-56(44)49-21-8-12-26-54(49)59-55)40-32-28-37(29-33-40)43-16-5-9-23-50(43)58-51-24-10-6-19-47(51)48-20-7-11-25-52(48)58/h1-36H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-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-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155398236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).