7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline

C34H23N2OP — CID 122471852

IUPAC7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3c2ccc2cccnc23)c1
InChIInChI=1S/C34H23N2OP/c37-38(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-17-9-11-25(23-28)33-30-21-20-24-12-10-22-35-34(24)32(30)29-18-7-8-19-31(29)36-33/h1-23H
InChIKeyCXCOUSGRDUTPAD-UHFFFAOYSA-N
MW506.55 g/mol
LogP7.24
Rot. Bonds4

About 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline

7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline (PubChem CID 122471852) has the molecular formula C34H23N2OP and a molecular weight of 506.55 g/mol. Its IUPAC name is 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline.

Molecular Properties

Compound Name7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
PubChem CID122471852
Molecular FormulaC34H23N2OP
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3c2ccc2cccnc23)c1
InChIInChI=1S/C34H23N2OP/c37-38(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-17-9-11-25(23-28)33-30-21-20-24-12-10-22-35-34(24)32(30)29-18-7-8-19-31(29)36-33/h1-23H
InChIKeyCXCOUSGRDUTPAD-UHFFFAOYSA-N
XLogP7.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 57.24
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'}

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Related Compounds

10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
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
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471965
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
7-(3-diphenylphosphorylphenyl)benzo[c]acridine
CID 146203985
6-(3-diphenylphosphorylphenyl)-8-(2-phenylquinazolin-4-yl)benzo[k]phenanthridine
CID 122665400
10-(10-bromoanthracen-9-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122472009
9-(3-diphenylphosphorylphenyl)acridine
CID 146204114

Frequently Asked Questions

What is the IUPAC name of 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline?
The IUPAC name of 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline (CID 122471852) is 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline.
What is the SMILES notation for 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline?
The canonical SMILES for 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3ccccc3c3c2ccc2cccnc23)c1.
What is the InChIKey of 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline?
The InChIKey is CXCOUSGRDUTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N2OP/c37-38(26-13-3-1-4-14-26,27-15-5-2-6-16-27)28-17-9-11-25(23-28)33-30-21-20-24-12-10-22-35-34(24)32(30)29-18-7-8-19-31(29)36-33/h1-23H.
What are the key properties of 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline?
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline has a molecular weight of 506.55 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline is sourced from PubChem (CID 122471852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).