1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene

C32H36 — CID 143526434

IUPAC1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene
SMILESC=CC(C)(/C=C/c1ccc(C(C)(/C=C/c2ccc(C)cc2)CC)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H36/c1-7-31(5,29-17-11-26(4)12-18-29)24-22-28-15-19-30(20-16-28)32(6,8-2)23-21-27-13-9-25(3)10-14-27/h7,9-24H,1,8H2,2-6H3/b23-21+,24-22+
InChIKeyRQAANCQPOCMLQN-MBALSZOMSA-N
MW420.64 g/mol
LogP8.84
Rot. Bonds8

About 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene

1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene (PubChem CID 143526434) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene
PubChem CID143526434
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene
SMILESC=CC(C)(/C=C/c1ccc(C(C)(/C=C/c2ccc(C)cc2)CC)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H36/c1-7-31(5,29-17-11-26(4)12-18-29)24-22-28-15-19-30(20-16-28)32(6,8-2)23-21-27-13-9-25(3)10-14-27/h7,9-24H,1,8H2,2-6H3/b23-21+,24-22+
InChIKeyRQAANCQPOCMLQN-MBALSZOMSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(E)-3-methyl-1-[4-[(E)-3-methyl-1-(4-methylphenyl)pent-1-en-3-yl]phenyl]pent-1-en-3-yl]benzene
CID 143526426
4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 89345012
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
CID 123460289
1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene
CID 142040309
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
2-amino-2-[(E)-2-(4-methylphenyl)ethenyl]propane-1,3-diol
CID 90298232
2-methyl-2,4-diphenylbut-3-enal
CID 154114517
N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline
CID 76695562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene (CID 143526434) is 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene is C=CC(C)(/C=C/c1ccc(C(C)(/C=C/c2ccc(C)cc2)CC)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene?
The InChIKey is RQAANCQPOCMLQN-MBALSZOMSA-N. The full InChI is InChI=1S/C32H36/c1-7-31(5,29-17-11-26(4)12-18-29)24-22-28-15-19-30(20-16-28)32(6,8-2)23-21-27-13-9-25(3)10-14-27/h7,9-24H,1,8H2,2-6H3/b23-21+,24-22+.
What are the key properties of 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene?
1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene has a molecular weight of 420.64 g/mol, XLogP of 8.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-3-methyl-3-[4-[(1E)-3-methyl-3-(4-methylphenyl)penta-1,4-dienyl]phenyl]pent-1-enyl]benzene is sourced from PubChem (CID 143526434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).