oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium

C30H20N2O3P+ — CID 174924369

IUPACoxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium
SMILESO=[P+](Oc1nc(-c2ccccc2)cc2ccccc12)Oc1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C30H20N2O3P/c33-36(34-29-25-17-9-7-15-23(25)19-27(31-29)21-11-3-1-4-12-21)35-30-26-18-10-8-16-24(26)20-28(32-30)22-13-5-2-6-14-22/h1-20H/q+1
InChIKeyIJAFCBRUEDMACH-UHFFFAOYSA-N
MW487.48 g/mol
LogP8.23
Rot. Bonds6

About oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium

oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium (PubChem CID 174924369) has the molecular formula C30H20N2O3P+ and a molecular weight of 487.48 g/mol. Its IUPAC name is oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium
PubChem CID174924369
Molecular FormulaC30H20N2O3P+
Molecular Weight487.48 g/mol
Exact Mass487.12
IUPAC Nameoxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium
SMILESO=[P+](Oc1nc(-c2ccccc2)cc2ccccc12)Oc1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C30H20N2O3P/c33-36(34-29-25-17-9-7-15-23(25)19-27(31-29)21-11-3-1-4-12-21)35-30-26-18-10-8-16-24(26)20-28(32-30)22-13-5-2-6-14-22/h1-20H/q+1
InChIKeyIJAFCBRUEDMACH-UHFFFAOYSA-N
XLogP8.23
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-phenylisoquinoline
CID 10376139
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
3-phenyl-1-[(3-phenylisoquinolin-1-yl)methyl]isoquinoline
CID 170983853
1-propan-2-yloxy-3-pyridin-4-ylisoquinoline
CID 58755524
1-(difluoromethyl)-3-phenylisoquinoline
CID 158150441
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
CID 126681895
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine
CID 134943056

Frequently Asked Questions

What is the IUPAC name of oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium?
The IUPAC name of oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium (CID 174924369) is oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium.
What is the SMILES notation for oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium?
The canonical SMILES for oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium is O=[P+](Oc1nc(-c2ccccc2)cc2ccccc12)Oc1nc(-c2ccccc2)cc2ccccc12.
What is the InChIKey of oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium?
The InChIKey is IJAFCBRUEDMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O3P/c33-36(34-29-25-17-9-7-15-23(25)19-27(31-29)21-11-3-1-4-12-21)35-30-26-18-10-8-16-24(26)20-28(32-30)22-13-5-2-6-14-22/h1-20H/q+1.
What are the key properties of oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium?
oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium has a molecular weight of 487.48 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium is sourced from PubChem (CID 174924369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).