10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide

C33H22NO2P — CID 130355974

IUPAC10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccc5cccnc45)c3)cc21
InChIInChI=1S/C33H22NO2P/c35-37(27-13-2-1-3-14-27)31-17-5-4-16-29(31)36-30-19-18-25(22-32(30)37)24-10-6-11-26(21-24)28-15-7-9-23-12-8-20-34-33(23)28/h1-22H
InChIKeySGJIRVTVNARTHM-UHFFFAOYSA-N
MW495.52 g/mol
LogP7.31
Rot. Bonds3

About 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide

10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide (PubChem CID 130355974) has the molecular formula C33H22NO2P and a molecular weight of 495.52 g/mol. Its IUPAC name is 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
PubChem CID130355974
Molecular FormulaC33H22NO2P
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC Name10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccc5cccnc45)c3)cc21
InChIInChI=1S/C33H22NO2P/c35-37(27-13-2-1-3-14-27)31-17-5-4-16-29(31)36-30-19-18-25(22-32(30)37)24-10-6-11-26(21-24)28-15-7-9-23-12-8-20-34-33(23)28/h1-22H
InChIKeySGJIRVTVNARTHM-UHFFFAOYSA-N
XLogP7.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
CID 130355946
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
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide
CID 118003298
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
mercury;8-phenylquinoline;hydrate
CID 174770535
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
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
10-[3-[3-(1-oxo-10,12,17-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(20),16,18-nonaen-5-yl)phenyl]phenyl]-4,12,18-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(20),16,18-nonaene 1-oxide
CID 146325130

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide?
The IUPAC name of 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide (CID 130355974) is 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide?
The canonical SMILES for 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide is O=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc(-c4cccc5cccnc45)c3)cc21.
What is the InChIKey of 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide?
The InChIKey is SGJIRVTVNARTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NO2P/c35-37(27-13-2-1-3-14-27)31-17-5-4-16-29(31)36-30-19-18-25(22-32(30)37)24-10-6-11-26(21-24)28-15-7-9-23-12-8-20-34-33(23)28/h1-22H.
What are the key properties of 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide?
10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide has a molecular weight of 495.52 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide is sourced from PubChem (CID 130355974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).