10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide

C37H24NO2P — CID 130355985

IUPAC10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc21
InChIInChI=1S/C37H24NO2P/c39-41(27-12-2-1-3-13-27)34-19-9-8-18-32(34)40-33-21-20-25(23-35(33)41)36-28-14-4-6-16-30(28)37(26-11-10-22-38-24-26)31-17-7-5-15-29(31)36/h1-24H
InChIKeyOKPYOBOWXIPUAO-UHFFFAOYSA-N
MW545.58 g/mol
LogP8.47
Rot. Bonds3

About 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide

10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide (PubChem CID 130355985) has the molecular formula C37H24NO2P and a molecular weight of 545.58 g/mol. Its IUPAC name is 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide
PubChem CID130355985
Molecular FormulaC37H24NO2P
Molecular Weight545.58 g/mol
Exact Mass545.15
IUPAC Name10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc21
InChIInChI=1S/C37H24NO2P/c39-41(27-12-2-1-3-13-27)34-19-9-8-18-32(34)40-33-21-20-25(23-35(33)41)36-28-14-4-6-16-30(28)37(26-11-10-22-38-24-26)31-17-7-5-15-29(31)36/h1-24H
InChIKeyOKPYOBOWXIPUAO-UHFFFAOYSA-N
XLogP8.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.58
LogP ≤ 58.47
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'}

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Related Compounds

10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
CID 130355946
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
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
8-phenyl-19-aza-8λ5-phosphahexacyclo[13.12.0.02,7.09,14.016,21.022,27]heptacosa-1(15),2,4,6,9,11,13,16(21),17,19,22,24,26-tridecaene 8-oxide
CID 155451648
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
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
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
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
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide
CID 161382960
5-(9,10-diphenylanthracen-2-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 121381831

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide?
The IUPAC name of 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide (CID 130355985) is 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide?
The canonical SMILES for 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide is O=P1(c2ccccc2)c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc21.
What is the InChIKey of 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide?
The InChIKey is OKPYOBOWXIPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24NO2P/c39-41(27-12-2-1-3-13-27)34-19-9-8-18-32(34)40-33-21-20-25(23-35(33)41)36-28-14-4-6-16-30(28)37(26-11-10-22-38-24-26)31-17-7-5-15-29(31)36/h1-24H.
What are the key properties of 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide?
10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide has a molecular weight of 545.58 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide is sourced from PubChem (CID 130355985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).