2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline

C44H29N2OP — CID 134470932

IUPAC2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C44H29N2OP/c47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42/h1-29H
InChIKeyOOUFUUGAJJGBTN-UHFFFAOYSA-N
MW632.70 g/mol
LogP10.06
Rot. Bonds5

About 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline

2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline (PubChem CID 134470932) has the molecular formula C44H29N2OP and a molecular weight of 632.70 g/mol. Its IUPAC name is 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
PubChem CID134470932
Molecular FormulaC44H29N2OP
Molecular Weight632.70 g/mol
Exact Mass632.20
IUPAC Name2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C44H29N2OP/c47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42/h1-29H
InChIKeyOOUFUUGAJJGBTN-UHFFFAOYSA-N
XLogP10.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.70
LogP ≤ 510.06
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

2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 157104263
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline;2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 159478084
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
2-(6-diphenylphosphoryl-9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;2-[6-(4-diphenylphosphorylnaphthalen-1-yl)-9,10-diphenylanthracen-2-yl]-1,10-phenanthroline;2-[6-(4-diphenylphosphorylphenyl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-1,10-phenanthroline
CID 159461777
2-[9-(4-diphenylphosphorylphenyl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 142462478
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
16-(4-diphenylphosphorylphenyl)-6-naphthalen-2-yl-2,5,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 163807494
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline (CID 134470932) is 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc43)c2)cc1.
What is the InChIKey of 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline?
The InChIKey is OOUFUUGAJJGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N2OP/c47-48(37-9-3-1-4-10-37,38-11-5-2-6-12-38)39-22-17-30(18-23-39)33-19-24-40-34(28-33)15-16-35-29-36(20-25-41(35)40)42-26-21-32-14-13-31-8-7-27-45-43(31)44(32)46-42/h1-29H.
What are the key properties of 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline?
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline has a molecular weight of 632.70 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 134470932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).