10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline

C40H27N2OP — CID 122471916

IUPAC10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccc4cccnc4c23)cc1
InChIInChI=1S/C40H27N2OP/c43-44(32-14-6-2-7-15-32,33-16-8-3-9-17-33)34-22-18-28(19-23-34)31-21-24-35-37(27-31)42-39(29-11-4-1-5-12-29)36-25-20-30-13-10-26-41-40(30)38(35)36/h1-27H
InChIKeyJAKOUKVSDXJASN-UHFFFAOYSA-N
MW582.64 g/mol
LogP8.91
Rot. Bonds5

About 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline

10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline (PubChem CID 122471916) has the molecular formula C40H27N2OP and a molecular weight of 582.64 g/mol. Its IUPAC name is 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline.

Molecular Properties

Compound Name10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
PubChem CID122471916
Molecular FormulaC40H27N2OP
Molecular Weight582.64 g/mol
Exact Mass582.19
IUPAC Name10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccc4cccnc4c23)cc1
InChIInChI=1S/C40H27N2OP/c43-44(32-14-6-2-7-15-32,33-16-8-3-9-17-33)34-22-18-28(19-23-34)31-21-24-35-37(27-31)42-39(29-11-4-1-5-12-29)36-25-20-30-13-10-26-41-40(30)38(35)36/h1-27H
InChIKeyJAKOUKVSDXJASN-UHFFFAOYSA-N
XLogP8.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.64
LogP ≤ 58.91
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 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline 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

7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471965
10-(10-bromoanthracen-9-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122472009
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
15-[4-(3-pyridin-4-ylphenyl)phenyl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 129037664
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
15-phenyl-19-(10-pyridin-4-ylanthracen-9-yl)-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 129037760
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium
CID 129037726
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
11-diphenylphosphoryl-N,N,6-triphenylbenzo[k]phenanthridin-3-amine
CID 171054642

Frequently Asked Questions

What is the IUPAC name of 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline?
The IUPAC name of 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline (CID 122471916) is 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline.
What is the SMILES notation for 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline?
The canonical SMILES for 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccc4cccnc4c23)cc1.
What is the InChIKey of 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline?
The InChIKey is JAKOUKVSDXJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N2OP/c43-44(32-14-6-2-7-15-32,33-16-8-3-9-17-33)34-22-18-28(19-23-34)31-21-24-35-37(27-31)42-39(29-11-4-1-5-12-29)36-25-20-30-13-10-26-41-40(30)38(35)36/h1-27H.
What are the key properties of 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline?
10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline has a molecular weight of 582.64 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline is sourced from PubChem (CID 122471916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).