1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene

C50H58O4 — CID 163414835

IUPAC1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene
SMILESCOC1=CCC(C(=C(c2ccc(C(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)C3CCCCC3)cc2)C2CCCCC2)C2C=CC(OC)=CC2)C=C1
InChIInChI=1S/C50H58O4/c1-51-43-27-19-39(20-28-43)49(40-21-29-44(52-2)30-22-40)47(35-11-7-5-8-12-35)37-15-17-38(18-16-37)48(36-13-9-6-10-14-36)50(41-23-31-45(53-3)32-24-41)42-25-33-46(54-4)34-26-42/h15-23,25,27-36,41-42H,5-14,24,26H2,1-4H3
InChIKeyADMXRDPWOFWDFJ-UHFFFAOYSA-N
MW723.01 g/mol
LogP12.79
Rot. Bonds12

About 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene

1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene (PubChem CID 163414835) has the molecular formula C50H58O4 and a molecular weight of 723.01 g/mol. Its IUPAC name is 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene
PubChem CID163414835
Molecular FormulaC50H58O4
Molecular Weight723.01 g/mol
Exact Mass722.43
IUPAC Name1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene
SMILESCOC1=CCC(C(=C(c2ccc(C(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)C3CCCCC3)cc2)C2CCCCC2)C2C=CC(OC)=CC2)C=C1
InChIInChI=1S/C50H58O4/c1-51-43-27-19-39(20-28-43)49(40-21-29-44(52-2)30-22-40)47(35-11-7-5-8-12-35)37-15-17-38(18-16-37)48(36-13-9-6-10-14-36)50(41-23-31-45(53-3)32-24-41)42-25-33-46(54-4)34-26-42/h15-23,25,27-36,41-42H,5-14,24,26H2,1-4H3
InChIKeyADMXRDPWOFWDFJ-UHFFFAOYSA-N
XLogP12.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.01
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene (CID 163414835) is 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene is COC1=CCC(C(=C(c2ccc(C(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)C3CCCCC3)cc2)C2CCCCC2)C2C=CC(OC)=CC2)C=C1.
What is the InChIKey of 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is ADMXRDPWOFWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58O4/c1-51-43-27-19-39(20-28-43)49(40-21-29-44(52-2)30-22-40)47(35-11-7-5-8-12-35)37-15-17-38(18-16-37)48(36-13-9-6-10-14-36)50(41-23-31-45(53-3)32-24-41)42-25-33-46(54-4)34-26-42/h15-23,25,27-36,41-42H,5-14,24,26H2,1-4H3.
What are the key properties of 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene?
1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 723.01 g/mol, XLogP of 12.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 163414835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).