2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene

C34H26O2S — CID 22211601

IUPAC2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C34H26O2S/c1-23-11-17-33(31(19-23)29-15-13-25-7-3-5-9-27(25)21-29)37(35,36)34-18-12-24(2)20-32(34)30-16-14-26-8-4-6-10-28(26)22-30/h3-22H,1-2H3
InChIKeySLLWJGISAWNSQG-UHFFFAOYSA-N
MW498.65 g/mol
LogP8.78
Rot. Bonds4

About 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene

2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene (PubChem CID 22211601) has the molecular formula C34H26O2S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene
PubChem CID22211601
Molecular FormulaC34H26O2S
Molecular Weight498.65 g/mol
Exact Mass498.17
IUPAC Name2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C34H26O2S/c1-23-11-17-33(31(19-23)29-15-13-25-7-3-5-9-27(25)21-29)37(35,36)34-18-12-24(2)20-32(34)30-16-14-26-8-4-6-10-28(26)22-30/h3-22H,1-2H3
InChIKeySLLWJGISAWNSQG-UHFFFAOYSA-N
XLogP8.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene?
The IUPAC name of 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene (CID 22211601) is 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene.
What is the SMILES notation for 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene?
The canonical SMILES for 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene is Cc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene?
The InChIKey is SLLWJGISAWNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O2S/c1-23-11-17-33(31(19-23)29-15-13-25-7-3-5-9-27(25)21-29)37(35,36)34-18-12-24(2)20-32(34)30-16-14-26-8-4-6-10-28(26)22-30/h3-22H,1-2H3.
What are the key properties of 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene?
2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene has a molecular weight of 498.65 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene is sourced from PubChem (CID 22211601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).