2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene

C32H22S — CID 67159688

IUPAC2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
SMILESc1ccc(-c2ccc3ccccc3c2)c(Sc2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C32H22S/c1-3-11-25-21-27(19-17-23(25)9-1)29-13-5-7-15-31(29)33-32-16-8-6-14-30(32)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H
InChIKeyJQUQSAQLNYHKDL-UHFFFAOYSA-N
MW438.60 g/mol
LogP9.48
Rot. Bonds4

About 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene

2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene (PubChem CID 67159688) has the molecular formula C32H22S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene.

Molecular Properties

Compound Name2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
PubChem CID67159688
Molecular FormulaC32H22S
Molecular Weight438.60 g/mol
Exact Mass438.14
IUPAC Name2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
SMILESc1ccc(-c2ccc3ccccc3c2)c(Sc2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C32H22S/c1-3-11-25-21-27(19-17-23(25)9-1)29-13-5-7-15-31(29)33-32-16-8-6-14-30(32)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H
InChIKeyJQUQSAQLNYHKDL-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene?
The IUPAC name of 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene (CID 67159688) is 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene.
What is the SMILES notation for 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene?
The canonical SMILES for 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene is c1ccc(-c2ccc3ccccc3c2)c(Sc2ccccc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene?
The InChIKey is JQUQSAQLNYHKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22S/c1-3-11-25-21-27(19-17-23(25)9-1)29-13-5-7-15-31(29)33-32-16-8-6-14-30(32)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H.
What are the key properties of 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene?
2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene has a molecular weight of 438.60 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene is sourced from PubChem (CID 67159688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).