2-dinaphthalen-1-ylphosphorylpyridine

C25H18NOP — CID 4586108

IUPAC2-dinaphthalen-1-ylphosphorylpyridine
SMILESO=P(c1ccccn1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H18NOP/c27-28(25-17-5-6-18-26-25,23-15-7-11-19-9-1-3-13-21(19)23)24-16-8-12-20-10-2-4-14-22(20)24/h1-18H
InChIKeyMCKJJNLVDBMICP-UHFFFAOYSA-N
MW379.40 g/mol
LogP5.03
Rot. Bonds3

About 2-dinaphthalen-1-ylphosphorylpyridine

2-dinaphthalen-1-ylphosphorylpyridine (PubChem CID 4586108) has the molecular formula C25H18NOP and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-dinaphthalen-1-ylphosphorylpyridine.

Molecular Properties

Compound Name2-dinaphthalen-1-ylphosphorylpyridine
PubChem CID4586108
Molecular FormulaC25H18NOP
Molecular Weight379.40 g/mol
Exact Mass379.11
IUPAC Name2-dinaphthalen-1-ylphosphorylpyridine
SMILESO=P(c1ccccn1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H18NOP/c27-28(25-17-5-6-18-26-25,23-15-7-11-19-9-1-3-13-21(19)23)24-16-8-12-20-10-2-4-14-22(20)24/h1-18H
InChIKeyMCKJJNLVDBMICP-UHFFFAOYSA-N
XLogP5.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 55.03
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-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
2-diphenylphosphorylpyridine
CID 3496437
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
2-[[4-(12-phenylbenzo[k]fluoranthen-7-yl)phenyl]-pyridin-2-ylphosphoryl]pyridine
CID 144896225
lithium dinaphthalen-1-ylphosphinate
CID 141248266
naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
copper(1+);dichloromethane;2-dipyridin-2-ylphosphorylpyridine;isothiocyanate
CID 139177598
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496

Frequently Asked Questions

What is the IUPAC name of 2-dinaphthalen-1-ylphosphorylpyridine?
The IUPAC name of 2-dinaphthalen-1-ylphosphorylpyridine (CID 4586108) is 2-dinaphthalen-1-ylphosphorylpyridine.
What is the SMILES notation for 2-dinaphthalen-1-ylphosphorylpyridine?
The canonical SMILES for 2-dinaphthalen-1-ylphosphorylpyridine is O=P(c1ccccn1)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2-dinaphthalen-1-ylphosphorylpyridine?
The InChIKey is MCKJJNLVDBMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NOP/c27-28(25-17-5-6-18-26-25,23-15-7-11-19-9-1-3-13-21(19)23)24-16-8-12-20-10-2-4-14-22(20)24/h1-18H.
What are the key properties of 2-dinaphthalen-1-ylphosphorylpyridine?
2-dinaphthalen-1-ylphosphorylpyridine has a molecular weight of 379.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dinaphthalen-1-ylphosphorylpyridine is sourced from PubChem (CID 4586108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).