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

C44H62F4S — CID 141168971

IUPAC5-[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
SMILESCCCC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C44H62F4S/c1-3-5-29-7-15-33(16-8-29)35-19-11-31(12-20-35)27-37-41(25-23-39(45)43(37)47)49-42-26-24-40(46)44(48)38(42)28-32-13-21-36(22-14-32)34-17-9-30(6-4-2)10-18-34/h23-36,41-42H,3-22H2,1-2H3
InChIKeyURTRTWNVRATWOM-UHFFFAOYSA-N
MW699.04 g/mol
LogP14.58
Rot. Bonds10

About 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

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 (PubChem CID 141168971) has the molecular formula C44H62F4S and a molecular weight of 699.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID141168971
Molecular FormulaC44H62F4S
Molecular Weight699.04 g/mol
Exact Mass698.45
IUPAC Name5-[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
SMILESCCCC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C44H62F4S/c1-3-5-29-7-15-33(16-8-29)35-19-11-31(12-20-35)27-37-41(25-23-39(45)43(37)47)49-42-26-24-40(46)44(48)38(42)28-32-13-21-36(22-14-32)34-17-9-30(6-4-2)10-18-34/h23-36,41-42H,3-22H2,1-2H3
InChIKeyURTRTWNVRATWOM-UHFFFAOYSA-N
XLogP14.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.04
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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-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-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1CCC(C2CCC(C=C3C(F)=C(F)C=CC3SC3C=CC(F)=C(F)C3=CC3CCC(C4CCC(CCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is URTRTWNVRATWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62F4S/c1-3-5-29-7-15-33(16-8-29)35-19-11-31(12-20-35)27-37-41(25-23-39(45)43(37)47)49-42-26-24-40(46)44(48)38(42)28-32-13-21-36(22-14-32)34-17-9-30(6-4-2)10-18-34/h23-36,41-42H,3-22H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 699.04 g/mol, XLogP of 14.58, 10 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-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-2,4-dien-1-yl]sulfanyl-1,2-difluoro-6-[[4-(4-propylcyclohexyl)cyclohexyl]methylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 141168971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).