1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene

C36H30 — CID 164679247

IUPAC1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene
SMILESCc1cc(C)cc(/C(=C(C(=C/c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H30/c1-27-23-28(2)25-33(24-27)35(31-19-11-5-12-20-31)36(32-21-13-6-14-22-32)34(30-17-9-4-10-18-30)26-29-15-7-3-8-16-29/h3-26H,1-2H3/b34-26-,36-35-
InChIKeyWINIGDDSUIDPSD-MCXBGMJKSA-N
MW462.64 g/mol
LogP9.50
Rot. Bonds6

About 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene

1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene (PubChem CID 164679247) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene
PubChem CID164679247
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene
SMILESCc1cc(C)cc(/C(=C(C(=C/c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H30/c1-27-23-28(2)25-33(24-27)35(31-19-11-5-12-20-31)36(32-21-13-6-14-22-32)34(30-17-9-4-10-18-30)26-29-15-7-3-8-16-29/h3-26H,1-2H3/b34-26-,36-35-
InChIKeyWINIGDDSUIDPSD-MCXBGMJKSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene (CID 164679247) is 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene is Cc1cc(C)cc(/C(=C(C(=C/c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene?
The InChIKey is WINIGDDSUIDPSD-MCXBGMJKSA-N. The full InChI is InChI=1S/C36H30/c1-27-23-28(2)25-33(24-27)35(31-19-11-5-12-20-31)36(32-21-13-6-14-22-32)34(30-17-9-4-10-18-30)26-29-15-7-3-8-16-29/h3-26H,1-2H3/b34-26-,36-35-.
What are the key properties of 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene?
1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene has a molecular weight of 462.64 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 164679247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).