2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine

C24H23NS — CID 3266120

IUPAC2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine
SMILESCC(C)c1ccc(SCc2c(-c3ccccc3)cn3ccccc23)cc1
InChIInChI=1S/C24H23NS/c1-18(2)19-11-13-21(14-12-19)26-17-23-22(20-8-4-3-5-9-20)16-25-15-7-6-10-24(23)25/h3-16,18H,17H2,1-2H3
InChIKeyCCVZZBWPEPRNIJ-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.02
Rot. Bonds5

About 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine

2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine (PubChem CID 3266120) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine.

Molecular Properties

Compound Name2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine
PubChem CID3266120
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine
SMILESCC(C)c1ccc(SCc2c(-c3ccccc3)cn3ccccc23)cc1
InChIInChI=1S/C24H23NS/c1-18(2)19-11-13-21(14-12-19)26-17-23-22(20-8-4-3-5-9-20)16-25-15-7-6-10-24(23)25/h3-16,18H,17H2,1-2H3
InChIKeyCCVZZBWPEPRNIJ-UHFFFAOYSA-N
XLogP7.02
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-ethylindolizin-2-yl)phenyl]methanol
CID 18706965
1-methanidyl-2-phenylindolizine;pentakis(vanadium)
CID 58787377
3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
CID 102125597
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
cumene;zinc
CID 159490121
2-phenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]indolizine
CID 156552702
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine?
The IUPAC name of 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine (CID 3266120) is 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine.
What is the SMILES notation for 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine?
The canonical SMILES for 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine is CC(C)c1ccc(SCc2c(-c3ccccc3)cn3ccccc23)cc1.
What is the InChIKey of 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine?
The InChIKey is CCVZZBWPEPRNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-18(2)19-11-13-21(14-12-19)26-17-23-22(20-8-4-3-5-9-20)16-25-15-7-6-10-24(23)25/h3-16,18H,17H2,1-2H3.
What are the key properties of 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine?
2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine has a molecular weight of 357.52 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(4-propan-2-ylphenyl)sulfanylmethyl]indolizine is sourced from PubChem (CID 3266120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).