triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane

C35H26N2S — CID 139292625

IUPACtriphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane
SMILESc1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1
InChIInChI=1S/C35H26N2S/c1-4-13-30(14-5-1)38(31-15-6-2-7-16-31,32-17-8-3-9-18-32)33-24-21-27(22-25-33)34-26-29-23-20-28-12-10-11-19-35(28)37(29)36-34/h1-26H
InChIKeyVGSIQNUGCLUBFK-UHFFFAOYSA-N
MW506.67 g/mol
LogP9.50
Rot. Bonds5

About triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane

triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane (PubChem CID 139292625) has the molecular formula C35H26N2S and a molecular weight of 506.67 g/mol. Its IUPAC name is triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane
PubChem CID139292625
Molecular FormulaC35H26N2S
Molecular Weight506.67 g/mol
Exact Mass506.18
IUPAC Nametriphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane
SMILESc1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1
InChIInChI=1S/C35H26N2S/c1-4-13-30(14-5-1)38(31-15-6-2-7-16-31,32-17-8-3-9-18-32)33-24-21-27(22-25-33)34-26-29-23-20-28-12-10-11-19-35(28)37(29)36-34/h1-26H
InChIKeyVGSIQNUGCLUBFK-UHFFFAOYSA-N
XLogP9.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
CID 129040191
2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
CID 129040100
2-methylpyrazolo[1,5-a]quinoline
CID 15620343
2-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)pyrazolo[1,5-a]quinoline
CID 129040134
2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline
CID 159044227
2-[4-(4-carbazol-9-ylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]pyrazolo[1,5-a]quinoline;3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]pyrazolo[1,5-a]quinoline
CID 157453628
2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 129040164
[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
CID 167154831
2-[4-(4-diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-diphenylphosphorylpyrazolo[1,5-a]quinoline;2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[1,5-a]quinoline;2-(2-phenylbenzimidazol-1-yl)pyrazolo[1,5-a]quinoline
CID 160738344
triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170245167
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]quinoline
CID 140781931
[3,5-bis(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenyl-λ4-sulfane
CID 170108878

Frequently Asked Questions

What is the IUPAC name of triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane?
The IUPAC name of triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane (CID 139292625) is triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane.
What is the SMILES notation for triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane?
The canonical SMILES for triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane is c1ccc(S(c2ccccc2)(c2ccccc2)c2ccc(-c3cc4ccc5ccccc5n4n3)cc2)cc1.
What is the InChIKey of triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane?
The InChIKey is VGSIQNUGCLUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2S/c1-4-13-30(14-5-1)38(31-15-6-2-7-16-31,32-17-8-3-9-18-32)33-24-21-27(22-25-33)34-26-29-23-20-28-12-10-11-19-35(28)37(29)36-34/h1-26H.
What are the key properties of triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane?
triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane has a molecular weight of 506.67 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane is sourced from PubChem (CID 139292625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).