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

C30H22Br2Cl2S — CID 86588946

IUPAC1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene
SMILESClc1ccccc1C(/C=C\c1ccc(Br)cc1)SC(/C=C\c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C30H22Br2Cl2S/c31-23-15-9-21(10-16-23)13-19-29(25-5-1-3-7-27(25)33)35-30(26-6-2-4-8-28(26)34)20-14-22-11-17-24(32)18-12-22/h1-20,29-30H/b19-13-,20-14-
InChIKeyUDOLHGWNCYGJOJ-AXPXABNXSA-N
MW645.29 g/mol
LogP11.46
Rot. Bonds8

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

1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene (PubChem CID 86588946) has the molecular formula C30H22Br2Cl2S and a molecular weight of 645.29 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene
PubChem CID86588946
Molecular FormulaC30H22Br2Cl2S
Molecular Weight645.29 g/mol
Exact Mass641.92
IUPAC Name1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene
SMILESClc1ccccc1C(/C=C\c1ccc(Br)cc1)SC(/C=C\c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C30H22Br2Cl2S/c31-23-15-9-21(10-16-23)13-19-29(25-5-1-3-7-27(25)33)35-30(26-6-2-4-8-28(26)34)20-14-22-11-17-24(32)18-12-22/h1-20,29-30H/b19-13-,20-14-
InChIKeyUDOLHGWNCYGJOJ-AXPXABNXSA-N
XLogP11.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.29
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene?
The IUPAC name of 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) is 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene is Clc1ccccc1C(/C=C\c1ccc(Br)cc1)SC(/C=C\c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene?
The InChIKey is UDOLHGWNCYGJOJ-AXPXABNXSA-N. The full InChI is InChI=1S/C30H22Br2Cl2S/c31-23-15-9-21(10-16-23)13-19-29(25-5-1-3-7-27(25)33)35-30(26-6-2-4-8-28(26)34)20-14-22-11-17-24(32)18-12-22/h1-20,29-30H/b19-13-,20-14-.
What are the key properties of 1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene?
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene has a molecular weight of 645.29 g/mol, XLogP of 11.46, 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-(2-chlorophenyl)prop-2-enyl]sulfanyl-3-(2-chlorophenyl)prop-1-enyl]benzene is sourced from PubChem (CID 86588946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).