1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene

C34H32Br2S — CID 86593388

IUPAC1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene
SMILESCc1cccc(/C=C\C(SC(/C=C\c2cccc(C)c2C)c2ccc(Br)cc2)c2ccc(Br)cc2)c1C
InChIInChI=1S/C34H32Br2S/c1-23-7-5-9-27(25(23)3)15-21-33(29-11-17-31(35)18-12-29)37-34(30-13-19-32(36)20-14-30)22-16-28-10-6-8-24(2)26(28)4/h5-22,33-34H,1-4H3/b21-15-,22-16-
InChIKeyIHWPXKFDWFWDDD-BMJUYKDLSA-N
MW632.51 g/mol
LogP11.39
Rot. Bonds8

About 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene

1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene (PubChem CID 86593388) has the molecular formula C34H32Br2S and a molecular weight of 632.51 g/mol. Its IUPAC name is 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene
PubChem CID86593388
Molecular FormulaC34H32Br2S
Molecular Weight632.51 g/mol
Exact Mass630.06
IUPAC Name1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene
SMILESCc1cccc(/C=C\C(SC(/C=C\c2cccc(C)c2C)c2ccc(Br)cc2)c2ccc(Br)cc2)c1C
InChIInChI=1S/C34H32Br2S/c1-23-7-5-9-27(25(23)3)15-21-33(29-11-17-31(35)18-12-29)37-34(30-13-19-32(36)20-14-30)22-16-28-10-6-8-24(2)26(28)4/h5-22,33-34H,1-4H3/b21-15-,22-16-
InChIKeyIHWPXKFDWFWDDD-BMJUYKDLSA-N
XLogP11.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.51
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
CID 143027707
1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
CID 79323692
2-[(2,3-dimethylphenyl)methylidene]propanedinitrile
CID 130159320
2-(4-bromophenyl)-3-(2,3-dimethylphenyl)-3-oxopropanenitrile
CID 43334122
(4-bromophenyl)-(2-iodo-3-methylphenyl)methanol
CID 114029440
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene (CID 86593388) is 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene is Cc1cccc(/C=C\C(SC(/C=C\c2cccc(C)c2C)c2ccc(Br)cc2)c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene?
The InChIKey is IHWPXKFDWFWDDD-BMJUYKDLSA-N. The full InChI is InChI=1S/C34H32Br2S/c1-23-7-5-9-27(25(23)3)15-21-33(29-11-17-31(35)18-12-29)37-34(30-13-19-32(36)20-14-30)22-16-28-10-6-8-24(2)26(28)4/h5-22,33-34H,1-4H3/b21-15-,22-16-.
What are the key properties of 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene?
1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene has a molecular weight of 632.51 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene is sourced from PubChem (CID 86593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).