1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

C34H38F2 — CID 58698946

IUPAC1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(C=Cc3ccc(C[C@@H](C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C34H38F2/c1-3-7-26-16-20-31(21-17-26)33(35)34(36)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-15,18-19,22-23,25-26,31H,3,7,16-17,20-21,24H2,1-2H3/b11-10?,34-33+/t25-,26?,31?/m1/s1
InChIKeyCBDWQVRHNPAFOY-LYMCBRAWSA-N
MW484.67 g/mol
LogP10.42
Rot. Bonds9

About 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698946) has the molecular formula C34H38F2 and a molecular weight of 484.67 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698946
Molecular FormulaC34H38F2
Molecular Weight484.67 g/mol
Exact Mass484.29
IUPAC Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(C=Cc3ccc(C[C@@H](C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C34H38F2/c1-3-7-26-16-20-31(21-17-26)33(35)34(36)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-15,18-19,22-23,25-26,31H,3,7,16-17,20-21,24H2,1-2H3/b11-10?,34-33+/t25-,26?,31?/m1/s1
InChIKeyCBDWQVRHNPAFOY-LYMCBRAWSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698946) is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is CCCC1CCC(/C(F)=C(\F)c2ccc(C=Cc3ccc(C[C@@H](C)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is CBDWQVRHNPAFOY-LYMCBRAWSA-N. The full InChI is InChI=1S/C34H38F2/c1-3-7-26-16-20-31(21-17-26)33(35)34(36)32-22-18-28(19-23-32)11-10-27-12-14-29(15-13-27)24-25(2)30-8-5-4-6-9-30/h4-6,8-15,18-19,22-23,25-26,31H,3,7,16-17,20-21,24H2,1-2H3/b11-10?,34-33+/t25-,26?,31?/m1/s1.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 484.67 g/mol, XLogP of 10.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).