1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene

C30H30S — CID 156695476

IUPAC1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
SMILESCC(C)(c1ccccc1)c1ccccc1Sc1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C30H30S/c1-29(2,23-15-7-5-8-16-23)25-19-11-13-21-27(25)31-28-22-14-12-20-26(28)30(3,4)24-17-9-6-10-18-24/h5-22H,1-4H3
InChIKeyKOXIDYBOPPYUJN-UHFFFAOYSA-N
MW422.64 g/mol
LogP8.49
Rot. Bonds6

About 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene

1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene (PubChem CID 156695476) has the molecular formula C30H30S and a molecular weight of 422.64 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
PubChem CID156695476
Molecular FormulaC30H30S
Molecular Weight422.64 g/mol
Exact Mass422.21
IUPAC Name1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
SMILESCC(C)(c1ccccc1)c1ccccc1Sc1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C30H30S/c1-29(2,23-15-7-5-8-16-23)25-19-11-13-21-27(25)31-28-22-14-12-20-26(28)30(3,4)24-17-9-6-10-18-24/h5-22H,1-4H3
InChIKeyKOXIDYBOPPYUJN-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene
CID 173025915
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
CID 171375456
CID 171375456
barium(2+);1-(2,4,4-trimethylpentan-2-yl)-2-[2-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanylbenzene
CID 18406426
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
2-(2-phenylpropan-2-yl)benzenesulfonamide
CID 23126425
2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
CID 173430654
phenyl-[2-(2-phenylpropan-2-yl)phenyl]diazene
CID 88596726

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene?
The IUPAC name of 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene (CID 156695476) is 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene is CC(C)(c1ccccc1)c1ccccc1Sc1ccccc1C(C)(C)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene?
The InChIKey is KOXIDYBOPPYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30S/c1-29(2,23-15-7-5-8-16-23)25-19-11-13-21-27(25)31-28-22-14-12-20-26(28)30(3,4)24-17-9-6-10-18-24/h5-22H,1-4H3.
What are the key properties of 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene?
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene has a molecular weight of 422.64 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene is sourced from PubChem (CID 156695476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).