1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene

C32H30S — CID 175983739

IUPAC1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=CSC=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30S/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-33-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-22H,1-4H3
InChIKeyGSPFDFKIBXCXHV-UHFFFAOYSA-N
MW446.66 g/mol
LogP9.13
Rot. Bonds6

About 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene

1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene (PubChem CID 175983739) has the molecular formula C32H30S and a molecular weight of 446.66 g/mol. Its IUPAC name is 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
PubChem CID175983739
Molecular FormulaC32H30S
Molecular Weight446.66 g/mol
Exact Mass446.21
IUPAC Name1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
SMILESCc1ccc(C(=CSC=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30S/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-33-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-22H,1-4H3
InChIKeyGSPFDFKIBXCXHV-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.66
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane
CID 142052900
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
CID 163829101
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
CID 21107287
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium
CID 93012319
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(Z)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 19261799

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The IUPAC name of 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene (CID 175983739) is 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The canonical SMILES for 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene is Cc1ccc(C(=CSC=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
The InChIKey is GSPFDFKIBXCXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30S/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-33-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-22H,1-4H3.
What are the key properties of 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene?
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene has a molecular weight of 446.66 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene is sourced from PubChem (CID 175983739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).