4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene

C35H30 — CID 143283019

IUPAC4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
SMILESC=Cc1ccccc1/C(=C1/C=CC=CC1)c1ccc(-c2ccc(C)c(-c3ccccc3C)c2)cc1
InChIInChI=1S/C35H30/c1-4-27-13-9-11-17-33(27)35(29-14-6-5-7-15-29)30-22-20-28(21-23-30)31-19-18-26(3)34(24-31)32-16-10-8-12-25(32)2/h4-14,16-24H,1,15H2,2-3H3/b35-29-
InChIKeyXHPJDXBZZAGODW-MJPNWULPSA-N
MW450.63 g/mol
LogP9.60
Rot. Bonds5

About 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene

4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene (PubChem CID 143283019) has the molecular formula C35H30 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Name4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
PubChem CID143283019
Molecular FormulaC35H30
Molecular Weight450.63 g/mol
Exact Mass450.23
IUPAC Name4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
SMILESC=Cc1ccccc1/C(=C1/C=CC=CC1)c1ccc(-c2ccc(C)c(-c3ccccc3C)c2)cc1
InChIInChI=1S/C35H30/c1-4-27-13-9-11-17-33(27)35(29-14-6-5-7-15-29)30-22-20-28(21-23-30)31-19-18-26(3)34(24-31)32-16-10-8-12-25(32)2/h4-14,16-24H,1,15H2,2-3H3/b35-29-
InChIKeyXHPJDXBZZAGODW-MJPNWULPSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
CID 145017041
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
[(2Z)-2-cyclohexa-2,4-dien-1-ylidene-2-(2-ethenylphenyl)ethyl] carboniodidate
CID 89484176
1-ethenyl-2-methyl-3-(2-methylphenyl)benzene
CID 141001352
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
1,2-bis(ethenyl)-3-(2-methylphenyl)benzene
CID 143516768
ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
CID 142343113
ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene
CID 145007178
1-[(E)-1-[4-[2-ethenyl-6-[(6Z,8Z)-5-methylidene-10H-benzo[8]annulen-4-yl]phenyl]-3-methylphenyl]ethylideneamino]-N-methyl-1-phenyl-1-[3-(4-phenylphenyl)phenyl]methanamine
CID 142614947
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene (CID 143283019) is 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene is C=Cc1ccccc1/C(=C1/C=CC=CC1)c1ccc(-c2ccc(C)c(-c3ccccc3C)c2)cc1.
What is the InChIKey of 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is XHPJDXBZZAGODW-MJPNWULPSA-N. The full InChI is InChI=1S/C35H30/c1-4-27-13-9-11-17-33(27)35(29-14-6-5-7-15-29)30-22-20-28(21-23-30)31-19-18-26(3)34(24-31)32-16-10-8-12-25(32)2/h4-14,16-24H,1,15H2,2-3H3/b35-29-.
What are the key properties of 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene?
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 450.63 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 143283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).