1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene

C30H20Cl2F4S — CID 87921084

IUPAC1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene
SMILESFc1ccc(C=CC(SC(/C=C\c2ccc(F)cc2F)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C30H20Cl2F4S/c31-23-9-1-21(2-10-23)29(15-7-19-5-13-25(33)17-27(19)35)37-30(22-3-11-24(32)12-4-22)16-8-20-6-14-26(34)18-28(20)36/h1-18,29-30H/b15-7-,16-8?
InChIKeyTUJOQSJQFRDWHX-VSFRDSMYSA-N
MW559.46 g/mol
LogP10.49
Rot. Bonds8

About 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene

1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene (PubChem CID 87921084) has the molecular formula C30H20Cl2F4S and a molecular weight of 559.46 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene
PubChem CID87921084
Molecular FormulaC30H20Cl2F4S
Molecular Weight559.46 g/mol
Exact Mass558.06
IUPAC Name1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene
SMILESFc1ccc(C=CC(SC(/C=C\c2ccc(F)cc2F)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C30H20Cl2F4S/c31-23-9-1-21(2-10-23)29(15-7-19-5-13-25(33)17-27(19)35)37-30(22-3-11-24(32)12-4-22)16-8-20-6-14-26(34)18-28(20)36/h1-18,29-30H/b15-7-,16-8?
InChIKeyTUJOQSJQFRDWHX-VSFRDSMYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.46
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
2-chloro-1-[(E)-3-[(E)-3-(2-chloro-4-fluorophenyl)-1-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-1-enyl]-4-fluorobenzene
CID 87962814
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 91216273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene (CID 87921084) is 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene is Fc1ccc(C=CC(SC(/C=C\c2ccc(F)cc2F)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene?
The InChIKey is TUJOQSJQFRDWHX-VSFRDSMYSA-N. The full InChI is InChI=1S/C30H20Cl2F4S/c31-23-9-1-21(2-10-23)29(15-7-19-5-13-25(33)17-27(19)35)37-30(22-3-11-24(32)12-4-22)16-8-20-6-14-26(34)18-28(20)36/h1-18,29-30H/b15-7-,16-8?.
What are the key properties of 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene?
1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene has a molecular weight of 559.46 g/mol, XLogP of 10.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene is sourced from PubChem (CID 87921084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).