1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene

C62H66 — CID 20730990

IUPAC1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene
SMILESC(=C1CCCCC1)c1ccc(C(=Cc2ccccc2C=C(c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)cc1
InChIInChI=1S/C62H66/c1-5-15-47(16-6-1)41-51-25-33-55(34-26-51)61(56-35-27-52(28-36-56)42-48-17-7-2-8-18-48)45-59-23-13-14-24-60(59)46-62(57-37-29-53(30-38-57)43-49-19-9-3-10-20-49)58-39-31-54(32-40-58)44-50-21-11-4-12-22-50/h13-14,23-46H,1-12,15-22H2
InChIKeyOQVWZEHZYWODBM-UHFFFAOYSA-N
MW811.21 g/mol
LogP18.25
Rot. Bonds10

About 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene

1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene (PubChem CID 20730990) has the molecular formula C62H66 and a molecular weight of 811.21 g/mol. Its IUPAC name is 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene
PubChem CID20730990
Molecular FormulaC62H66
Molecular Weight811.21 g/mol
Exact Mass810.52
IUPAC Name1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene
SMILESC(=C1CCCCC1)c1ccc(C(=Cc2ccccc2C=C(c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)cc1
InChIInChI=1S/C62H66/c1-5-15-47(16-6-1)41-51-25-33-55(34-26-51)61(56-35-27-52(28-36-56)42-48-17-7-2-8-18-48)45-59-23-13-14-24-60(59)46-62(57-37-29-53(30-38-57)43-49-19-9-3-10-20-49)58-39-31-54(32-40-58)44-50-21-11-4-12-22-50/h13-14,23-46H,1-12,15-22H2
InChIKeyOQVWZEHZYWODBM-UHFFFAOYSA-N
XLogP18.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.21
LogP ≤ 518.25
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 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene (CID 20730990) is 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene is C(=C1CCCCC1)c1ccc(C(=Cc2ccccc2C=C(c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)c2ccc(C=C3CCCCC3)cc2)cc1.
What is the InChIKey of 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene?
The InChIKey is OQVWZEHZYWODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66/c1-5-15-47(16-6-1)41-51-25-33-55(34-26-51)61(56-35-27-52(28-36-56)42-48-17-7-2-8-18-48)45-59-23-13-14-24-60(59)46-62(57-37-29-53(30-38-57)43-49-19-9-3-10-20-49)58-39-31-54(32-40-58)44-50-21-11-4-12-22-50/h13-14,23-46H,1-12,15-22H2.
What are the key properties of 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene?
1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene has a molecular weight of 811.21 g/mol, XLogP of 18.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2,2-bis[4-(cyclohexylidenemethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 20730990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).