2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene

C32H22S — CID 68507510

IUPAC2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
SMILESc1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C32H22S/c1-3-11-23(12-4-1)29-21-19-25-15-7-9-17-27(25)31(29)33-32-28-18-10-8-16-26(28)20-22-30(32)24-13-5-2-6-14-24/h1-22H
InChIKeyNFUBTBHBWXDCRJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP9.48
Rot. Bonds4

About 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene

2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene (PubChem CID 68507510) has the molecular formula C32H22S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene.

Molecular Properties

Compound Name2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
PubChem CID68507510
Molecular FormulaC32H22S
Molecular Weight438.60 g/mol
Exact Mass438.14
IUPAC Name2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
SMILESc1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C32H22S/c1-3-11-23(12-4-1)29-21-19-25-15-7-9-17-27(25)31(29)33-32-28-18-10-8-16-26(28)20-22-30(32)24-13-5-2-6-14-24/h1-22H
InChIKeyNFUBTBHBWXDCRJ-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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CID 10956972
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
CID 175857721
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1,3-diphenylphenanthrene
CID 13011098

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene?
The IUPAC name of 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene (CID 68507510) is 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene.
What is the SMILES notation for 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene?
The canonical SMILES for 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene is c1ccc(-c2ccc3ccccc3c2Sc2c(-c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene?
The InChIKey is NFUBTBHBWXDCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22S/c1-3-11-23(12-4-1)29-21-19-25-15-7-9-17-27(25)31(29)33-32-28-18-10-8-16-26(28)20-22-30(32)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene?
2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene 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-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene is sourced from PubChem (CID 68507510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).