6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine

C47H33N2OP — CID 171055011

IUPAC6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cccc2c2c1ccc1ccccc12
InChIInChI=1S/C47H33N2OP/c50-51(37-23-9-3-10-24-37,38-25-11-4-12-26-38)44-31-16-15-28-40(44)46-42-33-32-34-18-13-14-27-39(34)45(42)41-29-17-30-43(47(41)48-46)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-33H
InChIKeyZYRJYUOZBOTPIW-UHFFFAOYSA-N
MW672.77 g/mol
LogP11.32
Rot. Bonds7

About 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine

6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine (PubChem CID 171055011) has the molecular formula C47H33N2OP and a molecular weight of 672.77 g/mol. Its IUPAC name is 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine.

Molecular Properties

Compound Name6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine
PubChem CID171055011
Molecular FormulaC47H33N2OP
Molecular Weight672.77 g/mol
Exact Mass672.23
IUPAC Name6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cccc2c2c1ccc1ccccc12
InChIInChI=1S/C47H33N2OP/c50-51(37-23-9-3-10-24-37,38-25-11-4-12-26-38)44-31-16-15-28-40(44)46-42-33-32-34-18-13-14-27-39(34)45(42)41-29-17-30-43(47(41)48-46)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-33H
InChIKeyZYRJYUOZBOTPIW-UHFFFAOYSA-N
XLogP11.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-6-[2-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridin-4-amine
CID 171055000
2-(10-diphenylphosphorylbenzo[k]phenanthridin-6-yl)-N,N-diphenylaniline
CID 171055053
2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline
CID 127262709
6-[4-(1,10-phenanthrolin-4-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-4-amine
CID 171054891
6-[3-(1,10-phenanthrolin-4-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-4-amine
CID 171054643
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054725
9-(1,10-phenanthrolin-4-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054805
1-diphenylphosphorylnaphthalene
CID 11023927
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[4-[4-[2-diphenylphosphoryl-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenoxy]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 122393095
7-(1,9-phenanthrolin-7-yl)-N,N,6-triphenylbenzo[k]phenanthridin-4-amine
CID 171054754
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218

Frequently Asked Questions

What is the IUPAC name of 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine?
The IUPAC name of 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine (CID 171055011) is 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine.
What is the SMILES notation for 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine?
The canonical SMILES for 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine is O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cccc2c2c1ccc1ccccc12.
What is the InChIKey of 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine?
The InChIKey is ZYRJYUOZBOTPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N2OP/c50-51(37-23-9-3-10-24-37,38-25-11-4-12-26-38)44-31-16-15-28-40(44)46-42-33-32-34-18-13-14-27-39(34)45(42)41-29-17-30-43(47(41)48-46)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-33H.
What are the key properties of 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine?
6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine has a molecular weight of 672.77 g/mol, XLogP of 11.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-diphenylphosphorylphenyl)-N,N-diphenylbenzo[k]phenanthridin-4-amine is sourced from PubChem (CID 171055011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).