14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide

C35H22NO2P — CID 130355994

IUPAC14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide
SMILESO=P1(c2ccccc2)c2cc(-c3ccc4ccccc4n3)ccc2Oc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C35H22NO2P/c37-39(25-11-2-1-3-12-25)33-22-24(31-20-18-23-10-4-9-17-30(23)36-31)19-21-32(33)38-34-28-15-7-5-13-26(28)27-14-6-8-16-29(27)35(34)39/h1-22H
InChIKeyIBEXWGXQGCWAAM-UHFFFAOYSA-N
MW519.54 g/mol
LogP7.95
Rot. Bonds2

About 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide

14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide (PubChem CID 130355994) has the molecular formula C35H22NO2P and a molecular weight of 519.54 g/mol. Its IUPAC name is 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide.

Molecular Properties

Compound Name14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide
PubChem CID130355994
Molecular FormulaC35H22NO2P
Molecular Weight519.54 g/mol
Exact Mass519.14
IUPAC Name14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide
SMILESO=P1(c2ccccc2)c2cc(-c3ccc4ccccc4n3)ccc2Oc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C35H22NO2P/c37-39(25-11-2-1-3-12-25)33-22-24(31-20-18-23-10-4-9-17-30(23)36-31)19-21-32(33)38-34-28-15-7-5-13-26(28)27-14-6-8-16-29(27)35(34)39/h1-22H
InChIKeyIBEXWGXQGCWAAM-UHFFFAOYSA-N
XLogP7.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.54
LogP ≤ 57.95
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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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide?
The IUPAC name of 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide (CID 130355994) is 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide.
What is the SMILES notation for 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide?
The canonical SMILES for 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide is O=P1(c2ccccc2)c2cc(-c3ccc4ccccc4n3)ccc2Oc2c1c1ccccc1c1ccccc21.
What is the InChIKey of 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide?
The InChIKey is IBEXWGXQGCWAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22NO2P/c37-39(25-11-2-1-3-12-25)33-22-24(31-20-18-23-10-4-9-17-30(23)36-31)19-21-32(33)38-34-28-15-7-5-13-26(28)27-14-6-8-16-29(27)35(34)39/h1-22H.
What are the key properties of 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide?
14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide has a molecular weight of 519.54 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-12-quinolin-2-ylphenanthro[9,10-b][1,4]benzoxaphosphinine 14-oxide is sourced from PubChem (CID 130355994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).