2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene

C35H30S3 — CID 5096262

IUPAC2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene
SMILESCC(CSc1ccc2ccccc2c1)(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
InChIInChI=1S/C35H30S3/c1-35(23-36-32-17-14-26-8-2-5-11-29(26)20-32,24-37-33-18-15-27-9-3-6-12-30(27)21-33)25-38-34-19-16-28-10-4-7-13-31(28)22-34/h2-22H,23-25H2,1H3
InChIKeyVPBAHDZJIJZXAW-UHFFFAOYSA-N
MW546.83 g/mol
LogP10.83
Rot. Bonds9

About 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene

2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene (PubChem CID 5096262) has the molecular formula C35H30S3 and a molecular weight of 546.83 g/mol. Its IUPAC name is 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene.

Molecular Properties

Compound Name2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene
PubChem CID5096262
Molecular FormulaC35H30S3
Molecular Weight546.83 g/mol
Exact Mass546.15
IUPAC Name2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene
SMILESCC(CSc1ccc2ccccc2c1)(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
InChIInChI=1S/C35H30S3/c1-35(23-36-32-17-14-26-8-2-5-11-29(26)20-32,24-37-33-18-15-27-9-3-6-12-30(27)21-33)25-38-34-19-16-28-10-4-7-13-31(28)22-34/h2-22H,23-25H2,1H3
InChIKeyVPBAHDZJIJZXAW-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.83
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene?
The IUPAC name of 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene (CID 5096262) is 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene.
What is the SMILES notation for 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene?
The canonical SMILES for 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene is CC(CSc1ccc2ccccc2c1)(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene?
The InChIKey is VPBAHDZJIJZXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30S3/c1-35(23-36-32-17-14-26-8-2-5-11-29(26)20-32,24-37-33-18-15-27-9-3-6-12-30(27)21-33)25-38-34-19-16-28-10-4-7-13-31(28)22-34/h2-22H,23-25H2,1H3.
What are the key properties of 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene?
2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene has a molecular weight of 546.83 g/mol, XLogP of 10.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-naphthalen-2-ylsulfanyl-2-(naphthalen-2-ylsulfanylmethyl)propyl]sulfanylnaphthalene is sourced from PubChem (CID 5096262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).