1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene

C35H30 — CID 161223242

IUPAC1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CC=Cc3ccc(-c4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H30/c1-26-6-14-30(15-7-26)32-18-10-28(11-19-32)4-3-5-29-12-20-33(21-13-29)35-24-22-34(23-25-35)31-16-8-27(2)9-17-31/h3,5-25H,4H2,1-2H3
InChIKeyRUXHRNCKNQBNNQ-UHFFFAOYSA-N
MW450.63 g/mol
LogP9.56
Rot. Bonds6

About 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene

1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene (PubChem CID 161223242) has the molecular formula C35H30 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
PubChem CID161223242
Molecular FormulaC35H30
Molecular Weight450.63 g/mol
Exact Mass450.23
IUPAC Name1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CC=Cc3ccc(-c4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H30/c1-26-6-14-30(15-7-26)32-18-10-28(11-19-32)4-3-5-29-12-20-33(21-13-29)35-24-22-34(23-25-35)31-16-8-27(2)9-17-31/h3,5-25H,4H2,1-2H3
InChIKeyRUXHRNCKNQBNNQ-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]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

1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 11379525
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 58664971
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
N-[4-[3-(4-methylphenyl)prop-2-enyl]phenyl]-N-phenylbiphenylen-1-amine
CID 173264270
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 175740694
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene (CID 161223242) is 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene is Cc1ccc(-c2ccc(CC=Cc3ccc(-c4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene?
The InChIKey is RUXHRNCKNQBNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30/c1-26-6-14-30(15-7-26)32-18-10-28(11-19-32)4-3-5-29-12-20-33(21-13-29)35-24-22-34(23-25-35)31-16-8-27(2)9-17-31/h3,5-25H,4H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene?
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene has a molecular weight of 450.63 g/mol, XLogP of 9.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene is sourced from PubChem (CID 161223242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).