1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene

C30H24Br2S — CID 86588944

IUPAC1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
SMILESBrc1ccc(/C=C\C(SC(/C=C\c2ccc(Br)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24Br2S/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-22,29-30H/b21-15-,22-16-
InChIKeyZUAQRWGGTKGIQI-BMJUYKDLSA-N
MW576.40 g/mol
LogP10.15
Rot. Bonds8

About 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene

1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene (PubChem CID 86588944) has the molecular formula C30H24Br2S and a molecular weight of 576.40 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
PubChem CID86588944
Molecular FormulaC30H24Br2S
Molecular Weight576.40 g/mol
Exact Mass574.00
IUPAC Name1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
SMILESBrc1ccc(/C=C\C(SC(/C=C\c2ccc(Br)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24Br2S/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-22,29-30H/b21-15-,22-16-
InChIKeyZUAQRWGGTKGIQI-BMJUYKDLSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.40
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene
CID 86588946
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
CID 24894592
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
(E,2R)-4-(4-bromophenyl)-1,1,1-trichlorobut-3-en-2-ol
CID 125476149
1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
CID 125476010
4-[1,3-bis(4-bromophenyl)prop-2-enylsulfanylmethyl]benzonitrile
CID 135221956
1-chloro-2-[(Z)-1-[(Z)-1-(2-chlorophenyl)-3-phenylprop-2-enyl]sulfanyl-3-phenylprop-2-enyl]benzene
CID 139947365
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
4-(4-bromophenyl)-2-methyl-6-phenylhexa-2,5-dienoic acid
CID 67161057
(S)-(4-bromophenyl)-phenylmethanol
CID 778571

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene (CID 86588944) is 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene is Brc1ccc(/C=C\C(SC(/C=C\c2ccc(Br)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene?
The InChIKey is ZUAQRWGGTKGIQI-BMJUYKDLSA-N. The full InChI is InChI=1S/C30H24Br2S/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-22,29-30H/b21-15-,22-16-.
What are the key properties of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene?
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene has a molecular weight of 576.40 g/mol, XLogP of 10.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene is sourced from PubChem (CID 86588944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).