N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine

C31H23N4PS — CID 134831398

IUPACN-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine
SMILESC(=N\c1ccccc1)\c1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H23N4PS/c1-5-13-24(14-6-1)34-23-28-29(30-31(37-28)33-22-21-32-30)35-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H/b34-23-
InChIKeyLMBXSILPQODLIG-XSVYLIDLSA-N
MW514.59 g/mol
LogP7.25
Rot. Bonds6

About N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine

N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine (PubChem CID 134831398) has the molecular formula C31H23N4PS and a molecular weight of 514.59 g/mol. Its IUPAC name is N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine
PubChem CID134831398
Molecular FormulaC31H23N4PS
Molecular Weight514.59 g/mol
Exact Mass514.14
IUPAC NameN-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine
SMILESC(=N\c1ccccc1)\c1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H23N4PS/c1-5-13-24(14-6-1)34-23-28-29(30-31(37-28)33-22-21-32-30)35-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H/b34-23-
InChIKeyLMBXSILPQODLIG-XSVYLIDLSA-N
XLogP7.25
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine with MolForge

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Related Compounds

2-(Pyrazin-2-yl)benzo[d]thiazole
CID 14893265
2-(3,6-Dimethylpyrazin-2-yl)-1,3-benzothiazole
CID 85645495
2-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}[1,3]thiazolo[5,4-b]pyridine
CID 11724037
6-(Phenyliminomethyl)thieno[2,3-b]pyrazin-7-amine
CID 102035630
7-[(Triphenyl-lambda5-phosphanylidene)amino]thieno[2,3-b]pyrazine-6-carbaldehyde
CID 102035631
(Thieno[2,3-b]pyridin-3-yl)iminotriphenylphosphorane
CID 129783900
5-Fluoro-2-[[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]methyl]-1,3-benzothiazole
CID 166250762
{4-[2-(Methylthio)phenyl]-1-piperazinyl}methyl[1,3]thiazolo[5,4-b]pyridine
CID 10066878
2-[(4-Phenyl-1-piperazinyl)methyl][1,3]thiazolo[5,4-b]pyridine
CID 10425518
1-Phenyl-[1,3]thiazolo[5,4-b]pyridin-1-ium
CID 68190206
8-Thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 118345214
6-Ethylthieno[2,3-b]pyrazin-7-amine
CID 134271497

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine?
The IUPAC name of N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine (CID 134831398) is N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine.
What is the SMILES notation for N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine?
The canonical SMILES for N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine is C(=N\c1ccccc1)\c1sc2nccnc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine?
The InChIKey is LMBXSILPQODLIG-XSVYLIDLSA-N. The full InChI is InChI=1S/C31H23N4PS/c1-5-13-24(14-6-1)34-23-28-29(30-31(37-28)33-22-21-32-30)35-36(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H/b34-23-.
What are the key properties of N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine?
N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine has a molecular weight of 514.59 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[7-[(triphenyl-λ5-phosphanylidene)amino]thieno[2,3-b]pyrazin-6-yl]methanimine is sourced from PubChem (CID 134831398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).