1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline

C31H22NOP — CID 54170219

IUPAC1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C31H22NOP/c33-34(25-13-3-1-4-14-25,26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H
InChIKeyOUMQBIDWTSLHEE-UHFFFAOYSA-N
MW455.50 g/mol
LogP6.69
Rot. Bonds4

About 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline

1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline (PubChem CID 54170219) has the molecular formula C31H22NOP and a molecular weight of 455.50 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline.

Molecular Properties

Compound Name1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
PubChem CID54170219
Molecular FormulaC31H22NOP
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC Name1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C31H22NOP/c33-34(25-13-3-1-4-14-25,26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H
InChIKeyOUMQBIDWTSLHEE-UHFFFAOYSA-N
XLogP6.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
CID 54257520
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
2-diphenylphosphoryl-1-methylnaphthalene
CID 150613039
1-diphenylphosphorylnaphthalene
CID 11023927
2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
CID 134590299
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
CID 135069089
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
CID 139840135
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
(1R)-1-(1-isoquinolin-1-ylnaphthalen-2-yl)propan-1-ol
CID 134960094

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline?
The IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline (CID 54170219) is 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline.
What is the SMILES notation for 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline?
The canonical SMILES for 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1nccc2ccccc12.
What is the InChIKey of 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline?
The InChIKey is OUMQBIDWTSLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NOP/c33-34(25-13-3-1-4-14-25,26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H.
What are the key properties of 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline?
1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline has a molecular weight of 455.50 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline is sourced from PubChem (CID 54170219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).