6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine

C41H28NOP — CID 118332109

IUPAC6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C41H28NOP/c43-44(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-26-24-30(25-27-33)41-38-28-37(29-14-4-1-5-15-29)34-20-10-11-21-35(34)40(38)36-22-12-13-23-39(36)42-41/h1-28H
InChIKeyCJWRPAMISJRIRB-UHFFFAOYSA-N
MW581.66 g/mol
LogP9.51
Rot. Bonds5

About 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine

6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine (PubChem CID 118332109) has the molecular formula C41H28NOP and a molecular weight of 581.66 g/mol. Its IUPAC name is 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
PubChem CID118332109
Molecular FormulaC41H28NOP
Molecular Weight581.66 g/mol
Exact Mass581.19
IUPAC Name6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C41H28NOP/c43-44(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-26-24-30(25-27-33)41-38-28-37(29-14-4-1-5-15-29)34-20-10-11-21-35(34)40(38)36-22-12-13-23-39(36)42-41/h1-28H
InChIKeyCJWRPAMISJRIRB-UHFFFAOYSA-N
XLogP9.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.66
LogP ≤ 59.51
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

9-(4-diphenylphosphorylphenyl)-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129176255
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
6-(3-diphenylphosphorylphenyl)-8-(2-phenylquinazolin-4-yl)benzo[k]phenanthridine
CID 122665400
4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-2H-imidazo[4,5-k]phenanthridine
CID 176877042
12-phenyl-9-[4-(6-phenylbenzo[k]phenanthridin-8-yl)phenyl]-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 129176197
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
5-(4-diphenylphosphorylphenyl)-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009732
2-(4-diphenylphosphorylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246791
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605623

Frequently Asked Questions

What is the IUPAC name of 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine?
The IUPAC name of 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine (CID 118332109) is 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine.
What is the SMILES notation for 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine?
The canonical SMILES for 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine?
The InChIKey is CJWRPAMISJRIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28NOP/c43-44(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-26-24-30(25-27-33)41-38-28-37(29-14-4-1-5-15-29)34-20-10-11-21-35(34)40(38)36-22-12-13-23-39(36)42-41/h1-28H.
What are the key properties of 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine?
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine has a molecular weight of 581.66 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 118332109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).