naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane

C31H22NPSe — CID 164959023

IUPACnaphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H22NPSe/c34-33(26-13-2-1-3-14-26,30-17-7-10-23-9-4-5-15-28(23)30)27-20-18-24(19-21-27)29-16-6-11-25-12-8-22-32-31(25)29/h1-22H
InChIKeyDTQCGZZONYHSGF-UHFFFAOYSA-N
MW518.46 g/mol
LogP6.43
Rot. Bonds4

About naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane

naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane (PubChem CID 164959023) has the molecular formula C31H22NPSe and a molecular weight of 518.46 g/mol. Its IUPAC name is naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Namenaphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
PubChem CID164959023
Molecular FormulaC31H22NPSe
Molecular Weight518.46 g/mol
Exact Mass519.07
IUPAC Namenaphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H22NPSe/c34-33(26-13-2-1-3-14-26,30-17-7-10-23-9-4-5-15-28(23)30)27-20-18-24(19-21-27)29-16-6-11-25-12-8-22-32-31(25)29/h1-22H
InChIKeyDTQCGZZONYHSGF-UHFFFAOYSA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

mercury;8-phenylquinoline;hydrate
CID 174770535
naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane
CID 165025890
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
(4-acridin-9-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-5-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[2,1-g]quinolin-7-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[2,1-h]quinolin-6-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-pyridin-4-ylphenyl)-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-quinolin-3-ylphenyl)-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
CID 165025889
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070719
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane?
The IUPAC name of naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane (CID 164959023) is naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane.
What is the SMILES notation for naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane?
The canonical SMILES for naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane is [Se]=P(c1ccccc1)(c1ccc(-c2cccc3cccnc23)cc1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane?
The InChIKey is DTQCGZZONYHSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NPSe/c34-33(26-13-2-1-3-14-26,30-17-7-10-23-9-4-5-15-28(23)30)27-20-18-24(19-21-27)29-16-6-11-25-12-8-22-32-31(25)29/h1-22H.
What are the key properties of naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane?
naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane has a molecular weight of 518.46 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 164959023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).