2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene

C28H26S — CID 67159644

IUPAC2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)c(C)c1Sc1c(C)ccc(-c2ccccc2)c1C
InChIInChI=1S/C28H26S/c1-19-15-17-25(23-11-7-5-8-12-23)21(3)27(19)29-28-20(2)16-18-26(22(28)4)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyXPCOPDQIJQHCEY-UHFFFAOYSA-N
MW394.58 g/mol
LogP8.41
Rot. Bonds4

About 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene

2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene (PubChem CID 67159644) has the molecular formula C28H26S and a molecular weight of 394.58 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene
PubChem CID67159644
Molecular FormulaC28H26S
Molecular Weight394.58 g/mol
Exact Mass394.18
IUPAC Name2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)c(C)c1Sc1c(C)ccc(-c2ccccc2)c1C
InChIInChI=1S/C28H26S/c1-19-15-17-25(23-11-7-5-8-12-23)21(3)27(19)29-28-20(2)16-18-26(22(28)4)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyXPCOPDQIJQHCEY-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

2-tert-butyl-1,3-dimethyl-4-phenylbenzene
CID 164927310
N,N,2,6-tetramethyl-3-phenylaniline
CID 173185436
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
azane;(2,3-dimethyl-6-phenylphenyl)phosphane
CID 174680064
1-iodo-2,3-dimethyl-4-(3-methyl-4-phenylphenyl)benzene
CID 170131212
2,3-dimethyl-4-phenylphenol
CID 57091246
2,6-dimethyl-3-phenylbenzamide;hydrochloride
CID 175606974
3-isocyanato-1,2-dimethyl-4-phenylbenzene
CID 141258804
1-methyl-4,8-diphenylazulene
CID 86056773
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
CID 68507510

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene?
The IUPAC name of 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene (CID 67159644) is 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene.
What is the SMILES notation for 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene?
The canonical SMILES for 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene is Cc1ccc(-c2ccccc2)c(C)c1Sc1c(C)ccc(-c2ccccc2)c1C.
What is the InChIKey of 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene?
The InChIKey is XPCOPDQIJQHCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26S/c1-19-15-17-25(23-11-7-5-8-12-23)21(3)27(19)29-28-20(2)16-18-26(22(28)4)24-13-9-6-10-14-24/h5-18H,1-4H3.
What are the key properties of 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene?
2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-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 2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene is sourced from PubChem (CID 67159644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).