1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene

C21H20 — CID 145376041

IUPAC1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
SMILESC=C/C=C\C(=C)C=Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20/c1-4-5-6-17(2)7-10-19-11-15-21(16-12-19)20-13-8-18(3)9-14-20/h4-16H,1-2H2,3H3/b6-5-,10-7?
InChIKeyNZIUEVFSJRNRCT-WONFBAJKSA-N
MW272.39 g/mol
LogP5.97
Rot. Bonds5

About 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene

1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene (PubChem CID 145376041) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
PubChem CID145376041
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
SMILESC=C/C=C\C(=C)C=Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20/c1-4-5-6-17(2)7-10-19-11-15-21(16-12-19)20-13-8-18(3)9-14-20/h4-16H,1-2H2,3H3/b6-5-,10-7?
InChIKeyNZIUEVFSJRNRCT-WONFBAJKSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline
CID 143265110
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylbenzene
CID 143170529
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056
3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol
CID 71415026
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
1-[(1Z,3E)-3-(4-methylphenyl)hexa-1,3,5-trienyl]-4-(3-phenylphenyl)benzene
CID 145299688
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene (CID 145376041) is 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene is C=C/C=C\C(=C)C=Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene?
The InChIKey is NZIUEVFSJRNRCT-WONFBAJKSA-N. The full InChI is InChI=1S/C21H20/c1-4-5-6-17(2)7-10-19-11-15-21(16-12-19)20-13-8-18(3)9-14-20/h4-16H,1-2H2,3H3/b6-5-,10-7?.
What are the key properties of 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene?
1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene has a molecular weight of 272.39 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene is sourced from PubChem (CID 145376041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).