diphenyl-(3-phenylquinoxalin-5-yl)phosphane

C26H19N2P — CID 163479860

IUPACdiphenyl-(3-phenylquinoxalin-5-yl)phosphane
SMILESc1ccc(-c2cnc3cccc(P(c4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C26H19N2P/c1-4-11-20(12-5-1)24-19-27-23-17-10-18-25(26(23)28-24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H
InChIKeyIJVPBJOAZHICNA-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.05
Rot. Bonds4

About diphenyl-(3-phenylquinoxalin-5-yl)phosphane

diphenyl-(3-phenylquinoxalin-5-yl)phosphane (PubChem CID 163479860) has the molecular formula C26H19N2P and a molecular weight of 390.43 g/mol. Its IUPAC name is diphenyl-(3-phenylquinoxalin-5-yl)phosphane.

Molecular Properties

Compound Namediphenyl-(3-phenylquinoxalin-5-yl)phosphane
PubChem CID163479860
Molecular FormulaC26H19N2P
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Namediphenyl-(3-phenylquinoxalin-5-yl)phosphane
SMILESc1ccc(-c2cnc3cccc(P(c4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C26H19N2P/c1-4-11-20(12-5-1)24-19-27-23-17-10-18-25(26(23)28-24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H
InChIKeyIJVPBJOAZHICNA-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.05
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

2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane
CID 58555925
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
CID 88913467
CID 88913467
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 155765285
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
1-(3,6-diphenylpyrazin-2-yl)ethanone
CID 15500396
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
6-methoxy-3-phenylquinoxaline-5-carboxylic acid
CID 68675114
3-(8-chloroquinoxalin-2-yl)phenol
CID 67363410

Frequently Asked Questions

What is the IUPAC name of diphenyl-(3-phenylquinoxalin-5-yl)phosphane?
The IUPAC name of diphenyl-(3-phenylquinoxalin-5-yl)phosphane (CID 163479860) is diphenyl-(3-phenylquinoxalin-5-yl)phosphane.
What is the SMILES notation for diphenyl-(3-phenylquinoxalin-5-yl)phosphane?
The canonical SMILES for diphenyl-(3-phenylquinoxalin-5-yl)phosphane is c1ccc(-c2cnc3cccc(P(c4ccccc4)c4ccccc4)c3n2)cc1.
What is the InChIKey of diphenyl-(3-phenylquinoxalin-5-yl)phosphane?
The InChIKey is IJVPBJOAZHICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N2P/c1-4-11-20(12-5-1)24-19-27-23-17-10-18-25(26(23)28-24)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H.
What are the key properties of diphenyl-(3-phenylquinoxalin-5-yl)phosphane?
diphenyl-(3-phenylquinoxalin-5-yl)phosphane has a molecular weight of 390.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(3-phenylquinoxalin-5-yl)phosphane is sourced from PubChem (CID 163479860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).