1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene

C27H30 — CID 145258694

IUPAC1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene
SMILESCc1cc(C)cc(C/C=C(/CC(C)C)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C27H30/c1-20(2)15-27(14-13-23-17-21(3)16-22(4)18-23)26-12-8-11-25(19-26)24-9-6-5-7-10-24/h5-12,14,16-20H,13,15H2,1-4H3/b27-14-
InChIKeyXZQUIJJHVDTNJT-VYYCAZPPSA-N
MW354.54 g/mol
LogP7.64
Rot. Bonds6

About 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene

1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene (PubChem CID 145258694) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene
PubChem CID145258694
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene
SMILESCc1cc(C)cc(C/C=C(/CC(C)C)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C27H30/c1-20(2)15-27(14-13-23-17-21(3)16-22(4)18-23)26-12-8-11-25(19-26)24-9-6-5-7-10-24/h5-12,14,16-20H,13,15H2,1-4H3/b27-14-
InChIKeyXZQUIJJHVDTNJT-VYYCAZPPSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
CID 177487791
1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
CID 123209273
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine
CID 145274981
1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
CID 145321706
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
1-chloro-3-(3-methylphenyl)benzene;(Z)-1,3-diphenylprop-1-en-1-amine
CID 145299888
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
(3-methylbutanoylamino) azulene-2-carboxylate
CID 174661841
3-methylbutanoate;toluene
CID 19842073
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene (CID 145258694) is 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene is Cc1cc(C)cc(C/C=C(/CC(C)C)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene?
The InChIKey is XZQUIJJHVDTNJT-VYYCAZPPSA-N. The full InChI is InChI=1S/C27H30/c1-20(2)15-27(14-13-23-17-21(3)16-22(4)18-23)26-12-8-11-25(19-26)24-9-6-5-7-10-24/h5-12,14,16-20H,13,15H2,1-4H3/b27-14-.
What are the key properties of 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene?
1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene has a molecular weight of 354.54 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene is sourced from PubChem (CID 145258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).