1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene

C28H26S — CID 141085146

IUPAC1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(Sc2cc(C)cc(C)c2-c2ccccc2)c1
InChIInChI=1S/C28H26S/c1-19-15-21(3)27(23-11-7-5-8-12-23)25(17-19)29-26-18-20(2)16-22(4)28(26)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyMOIAOFPCIMCNQG-UHFFFAOYSA-N
MW394.58 g/mol
LogP8.41
Rot. Bonds4

About 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene

1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene (PubChem CID 141085146) has the molecular formula C28H26S and a molecular weight of 394.58 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
PubChem CID141085146
Molecular FormulaC28H26S
Molecular Weight394.58 g/mol
Exact Mass394.18
IUPAC Name1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(Sc2cc(C)cc(C)c2-c2ccccc2)c1
InChIInChI=1S/C28H26S/c1-19-15-21(3)27(23-11-7-5-8-12-23)25(17-19)29-26-18-20(2)16-22(4)28(26)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyMOIAOFPCIMCNQG-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 177325132
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene?
The IUPAC name of 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene (CID 141085146) is 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene.
What is the SMILES notation for 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene?
The canonical SMILES for 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene is Cc1cc(C)c(-c2ccccc2)c(Sc2cc(C)cc(C)c2-c2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene?
The InChIKey is MOIAOFPCIMCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26S/c1-19-15-21(3)27(23-11-7-5-8-12-23)25(17-19)29-26-18-20(2)16-22(4)28(26)24-13-9-6-10-14-24/h5-18H,1-4H3.
What are the key properties of 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene?
1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene has a molecular weight of 394.58 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene is sourced from PubChem (CID 141085146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).