6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine

C53H36NOP — CID 155249235

IUPAC6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccccc6)c5)cc4c4c3ccc3ccccc34)c2)c1
InChIInChI=1S/C53H36NOP/c55-56(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-14-21-42(35-47)41-20-13-22-44(34-41)53-49-31-29-38-17-10-11-28-48(38)52(49)50-36-43(30-32-51(50)54-53)40-19-12-18-39(33-40)37-15-4-1-5-16-37/h1-36H
InChIKeyGNBFLTLVEPJBHT-UHFFFAOYSA-N
MW733.85 g/mol
LogP12.85
Rot. Bonds7

About 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine

6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine (PubChem CID 155249235) has the molecular formula C53H36NOP and a molecular weight of 733.85 g/mol. Its IUPAC name is 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
PubChem CID155249235
Molecular FormulaC53H36NOP
Molecular Weight733.85 g/mol
Exact Mass733.25
IUPAC Name6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccccc6)c5)cc4c4c3ccc3ccccc34)c2)c1
InChIInChI=1S/C53H36NOP/c55-56(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-14-21-42(35-47)41-20-13-22-44(34-41)53-49-31-29-38-17-10-11-28-48(38)52(49)50-36-43(30-32-51(50)54-53)40-19-12-18-39(33-40)37-15-4-1-5-16-37/h1-36H
InChIKeyGNBFLTLVEPJBHT-UHFFFAOYSA-N
XLogP12.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.85
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227
6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
CID 161080060
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
CID 149095798
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
11-diphenylphosphoryl-N,N,6-triphenylbenzo[k]phenanthridin-3-amine
CID 171054642
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine?
The IUPAC name of 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine (CID 155249235) is 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine?
The canonical SMILES for 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccccc6)c5)cc4c4c3ccc3ccccc34)c2)c1.
What is the InChIKey of 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine?
The InChIKey is GNBFLTLVEPJBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36NOP/c55-56(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-14-21-42(35-47)41-20-13-22-44(34-41)53-49-31-29-38-17-10-11-28-48(38)52(49)50-36-43(30-32-51(50)54-53)40-19-12-18-39(33-40)37-15-4-1-5-16-37/h1-36H.
What are the key properties of 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine?
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine has a molecular weight of 733.85 g/mol, XLogP of 12.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 155249235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).