1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene

C28H26 — CID 91079468

IUPAC1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene
SMILESCC1=CC(=C(c2ccccc2)c2cc(C)ccc2Cc2ccccc2)CC=C1
InChIInChI=1S/C28H26/c1-21-10-9-15-26(18-21)28(24-13-7-4-8-14-24)27-19-22(2)16-17-25(27)20-23-11-5-3-6-12-23/h3-14,16-19H,15,20H2,1-2H3
InChIKeyXILBREPILPMUCA-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.29
Rot. Bonds4

About 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene

1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene (PubChem CID 91079468) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene
PubChem CID91079468
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene
SMILESCC1=CC(=C(c2ccccc2)c2cc(C)ccc2Cc2ccccc2)CC=C1
InChIInChI=1S/C28H26/c1-21-10-9-15-26(18-21)28(24-13-7-4-8-14-24)27-19-22(2)16-17-25(27)20-23-11-5-3-6-12-23/h3-14,16-19H,15,20H2,1-2H3
InChIKeyXILBREPILPMUCA-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The IUPAC name of 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene (CID 91079468) is 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene.
What is the SMILES notation for 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The canonical SMILES for 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene is CC1=CC(=C(c2ccccc2)c2cc(C)ccc2Cc2ccccc2)CC=C1.
What is the InChIKey of 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The InChIKey is XILBREPILPMUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-21-10-9-15-26(18-21)28(24-13-7-4-8-14-24)27-19-22(2)16-17-25(27)20-23-11-5-3-6-12-23/h3-14,16-19H,15,20H2,1-2H3.
What are the key properties of 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene?
1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene has a molecular weight of 362.52 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-2-[(3-methylcyclohexa-2,4-dien-1-ylidene)-phenylmethyl]benzene is sourced from PubChem (CID 91079468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).