10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide

C28H19N2O2P — CID 130355946

IUPAC10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccnc4)n3)cc21
InChIInChI=1S/C28H19N2O2P/c31-33(22-9-2-1-3-10-22)27-14-5-4-13-25(27)32-26-16-15-20(18-28(26)33)23-11-6-12-24(30-23)21-8-7-17-29-19-21/h1-19H
InChIKeyBZVFZTOTXUMNQD-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.56
Rot. Bonds3

About 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide

10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide (PubChem CID 130355946) has the molecular formula C28H19N2O2P and a molecular weight of 446.45 g/mol. Its IUPAC name is 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
PubChem CID130355946
Molecular FormulaC28H19N2O2P
Molecular Weight446.45 g/mol
Exact Mass446.12
IUPAC Name10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccnc4)n3)cc21
InChIInChI=1S/C28H19N2O2P/c31-33(22-9-2-1-3-10-22)27-14-5-4-13-25(27)32-26-16-15-20(18-28(26)33)23-11-6-12-24(30-23)21-8-7-17-29-19-21/h1-19H
InChIKeyBZVFZTOTXUMNQD-UHFFFAOYSA-N
XLogP5.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide
CID 130355985
2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide
CID 130356002
10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
CID 130355974
2,6-dipyridin-3-ylpyridine
CID 13349632
10-(4-pyridin-3-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220079
10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 140898941
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-14-phenyl-21-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide
CID 146834324
10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide
CID 146634004
14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide
CID 130355994
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
4,10,12-triphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118313694

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide?
The IUPAC name of 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide (CID 130355946) is 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide?
The canonical SMILES for 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide is O=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccnc4)n3)cc21.
What is the InChIKey of 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide?
The InChIKey is BZVFZTOTXUMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N2O2P/c31-33(22-9-2-1-3-10-22)27-14-5-4-13-25(27)32-26-16-15-20(18-28(26)33)23-11-6-12-24(30-23)21-8-7-17-29-19-21/h1-19H.
What are the key properties of 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide?
10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide has a molecular weight of 446.45 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide is sourced from PubChem (CID 130355946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).