5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene

C40H54F4S — CID 141168969

IUPAC5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C40H54F4S/c1-25-3-11-29(12-4-25)31-15-7-27(8-16-31)23-33-37(21-19-35(41)39(33)43)45-38-22-20-36(42)40(44)34(38)24-28-9-17-32(18-10-28)30-13-5-26(2)6-14-30/h19-32,37-38H,3-18H2,1-2H3
InChIKeyYTUZSMPHVJSIJB-UHFFFAOYSA-N
MW642.93 g/mol
LogP13.02
Rot. Bonds6

About 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene

5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene (PubChem CID 141168969) has the molecular formula C40H54F4S and a molecular weight of 642.93 g/mol. Its IUPAC name is 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
PubChem CID141168969
Molecular FormulaC40H54F4S
Molecular Weight642.93 g/mol
Exact Mass642.39
IUPAC Name5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C40H54F4S/c1-25-3-11-29(12-4-25)31-15-7-27(8-16-31)23-33-37(21-19-35(41)39(33)43)45-38-22-20-36(42)40(44)34(38)24-28-9-17-32(18-10-28)30-13-5-26(2)6-14-30/h19-32,37-38H,3-18H2,1-2H3
InChIKeyYTUZSMPHVJSIJB-UHFFFAOYSA-N
XLogP13.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.93
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene with MolForge

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Related Compounds

6-[[4-(4-Butylcyclohexyl)cyclohexyl]methylidene]-5-[6-[[4-(4-butylcyclohexyl)cyclohexyl]methylidene]-4,5-difluorocyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluorocyclohexa-1,3-diene
CID 141168970
5-[4,5-Difluoro-6-[[4-(4-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168971
5-[4,5-Difluoro-6-[[4-(4-pentylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-pentylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168972
5-[4,5-Difluoro-6-[[4-(4-octylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-octylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168973
6-[[4-(4-Ethylcyclohexyl)cyclohexyl]methylidene]-5-[6-[[4-(4-ethylcyclohexyl)cyclohexyl]methylidene]-4,5-difluorocyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluorocyclohexa-1,3-diene
CID 141168976
5-[4,5-Difluoro-6-[[4-(4-hexylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-hexylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168977
5-[4,5-Difluoro-6-[[4-(4-nonylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-nonylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168978
5-[4,5-Difluoro-6-[[4-(4-heptylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-heptylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene
CID 141168979
1,5-Dicyclohexyl-3-(3,5-dicyclohexylcyclohexa-1,3-dien-1-yl)sulfanyl-6-methylcyclohexa-1,3-diene
CID 91487247
CID 132012733
CID 132012733

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene?
The IUPAC name of 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene (CID 141168969) is 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene?
The canonical SMILES for 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene is CC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene?
The InChIKey is YTUZSMPHVJSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54F4S/c1-25-3-11-29(12-4-25)31-15-7-27(8-16-31)23-33-37(21-19-35(41)39(33)43)45-38-22-20-36(42)40(44)34(38)24-28-9-17-32(18-10-28)30-13-5-26(2)6-14-30/h19-32,37-38H,3-18H2,1-2H3.
What are the key properties of 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene?
5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene has a molecular weight of 642.93 g/mol, XLogP of 13.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 141168969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).