diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane

C31H23N2P — CID 129046843

IUPACdiphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C31H23N2P/c1-3-13-25(14-4-1)34(26-15-5-2-6-16-26)31-19-18-30(33-31)28-22-24-12-8-7-11-23(24)21-27(28)29-17-9-10-20-32-29/h1-22,33H
InChIKeyPLWIBERQVTVGCQ-UHFFFAOYSA-N
MW454.51 g/mol
LogP6.66
Rot. Bonds5

About diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane

diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane (PubChem CID 129046843) has the molecular formula C31H23N2P and a molecular weight of 454.51 g/mol. Its IUPAC name is diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane
PubChem CID129046843
Molecular FormulaC31H23N2P
Molecular Weight454.51 g/mol
Exact Mass454.16
IUPAC Namediphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C31H23N2P/c1-3-13-25(14-4-1)34(26-15-5-2-6-16-26)31-19-18-30(33-31)28-22-24-12-8-7-11-23(24)21-27(28)29-17-9-10-20-32-29/h1-22,33H
InChIKeyPLWIBERQVTVGCQ-UHFFFAOYSA-N
XLogP6.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
3-pyridin-2-yl-2-(1H-pyrrol-2-yl)quinoline
CID 140974379
2-(3-ethoxynaphthalen-2-yl)pyridine
CID 132851347
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine
CID 102340099
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
diphenyl(pyridin-2-yl)phosphane
CID 621893
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane
CID 129046831
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
2-methyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 53330998

Frequently Asked Questions

What is the IUPAC name of diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane?
The IUPAC name of diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane (CID 129046843) is diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane.
What is the SMILES notation for diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane?
The canonical SMILES for diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane is c1ccc(P(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccn3)[nH]2)cc1.
What is the InChIKey of diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane?
The InChIKey is PLWIBERQVTVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N2P/c1-3-13-25(14-4-1)34(26-15-5-2-6-16-26)31-19-18-30(33-31)28-22-24-12-8-7-11-23(24)21-27(28)29-17-9-10-20-32-29/h1-22,33H.
What are the key properties of diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane?
diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane has a molecular weight of 454.51 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[5-(3-pyridin-2-ylnaphthalen-2-yl)-1H-pyrrol-2-yl]phosphane is sourced from PubChem (CID 129046843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).