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

C56H36N2O — CID 155398702

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C56H36N2O/c1-2-16-44-37(13-1)27-28-40-36-43(33-34-45(40)44)57(42-15-11-14-39(35-42)47-21-12-26-55-56(47)50-20-6-10-25-54(50)59-55)41-31-29-38(30-32-41)46-17-3-7-22-51(46)58-52-23-8-4-18-48(52)49-19-5-9-24-53(49)58/h1-36H
InChIKeyMDGBFGDEWPJXCS-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine (PubChem CID 155398702) 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-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
PubChem CID155398702
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C56H36N2O/c1-2-16-44-37(13-1)27-28-40-36-43(33-34-45(40)44)57(42-15-11-14-39(35-42)47-21-12-26-55-56(47)50-20-6-10-25-54(50)59-55)41-31-29-38(30-32-41)46-17-3-7-22-51(46)58-52-23-8-4-18-48(52)49-19-5-9-24-53(49)58/h1-36H
InChIKeyMDGBFGDEWPJXCS-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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139545045
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155649180
N-[4-[2-[2-[5-[4-[4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]naphthalen-2-yl]carbazol-9-yl]phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398691
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234272
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939681
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine (CID 155398702) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(ccc4ccccc43)c2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine?
The InChIKey is MDGBFGDEWPJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-16-44-37(13-1)27-28-40-36-43(33-34-45(40)44)57(42-15-11-14-39(35-42)47-21-12-26-55-56(47)50-20-6-10-25-54(50)59-55)41-31-29-38(30-32-41)46-17-3-7-22-51(46)58-52-23-8-4-18-48(52)49-19-5-9-24-53(49)58/h1-36H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-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 N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 155398702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).