2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline

C50H33N2OP — CID 134470904

IUPAC2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C50H33N2OP/c53-54(39-19-9-3-10-20-39,40-21-11-4-12-22-40)41-27-29-43-45(33-41)48(35-16-7-2-8-17-35)42-28-25-38(32-44(42)47(43)34-14-5-1-6-15-34)46-30-26-37-24-23-36-18-13-31-51-49(36)50(37)52-46/h1-33H
InChIKeyMBFACPZXANXPOI-UHFFFAOYSA-N
MW708.80 g/mol
LogP11.73
Rot. Bonds6

About 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline

2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline (PubChem CID 134470904) has the molecular formula C50H33N2OP and a molecular weight of 708.80 g/mol. Its IUPAC name is 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
PubChem CID134470904
Molecular FormulaC50H33N2OP
Molecular Weight708.80 g/mol
Exact Mass708.23
IUPAC Name2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C50H33N2OP/c53-54(39-19-9-3-10-20-39,40-21-11-4-12-22-40)41-27-29-43-45(33-41)48(35-16-7-2-8-17-35)42-28-25-38(32-44(42)47(43)34-14-5-1-6-15-34)46-30-26-37-24-23-36-18-13-31-51-49(36)50(37)52-46/h1-33H
InChIKeyMBFACPZXANXPOI-UHFFFAOYSA-N
XLogP11.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.80
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
2-[9-(4-diphenylphosphorylphenyl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 142462478
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176
2-bis(4-phenylphenyl)phosphoryl-1,10-phenanthroline;2-dinaphthalen-2-ylphosphoryl-1,10-phenanthroline;2-(10-diphenylphosphorylanthracen-9-yl)-1,10-phenanthroline;2-[4-(4-diphenylphosphorylnaphthalen-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-(4-diphenylphosphorylnaphthalen-1-yl)-1,10-phenanthroline;2-[4-(4-diphenylphosphorylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-diphenylphosphoryl-1,10-phenanthroline;2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-(4-diphenylphosphorylphenyl)-1,10-phenanthroline;2-diphenylphosphoryl-9-phenyl-1,10-phenanthroline
CID 158785308

Frequently Asked Questions

What is the IUPAC name of 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline (CID 134470904) is 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline?
The InChIKey is MBFACPZXANXPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N2OP/c53-54(39-19-9-3-10-20-39,40-21-11-4-12-22-40)41-27-29-43-45(33-41)48(35-16-7-2-8-17-35)42-28-25-38(32-44(42)47(43)34-14-5-1-6-15-34)46-30-26-37-24-23-36-18-13-31-51-49(36)50(37)52-46/h1-33H.
What are the key properties of 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline?
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline has a molecular weight of 708.80 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 134470904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).