(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane

C26H32 — CID 143566980

IUPAC(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane
SMILESC=C(C)/C=C(\C)C(=C)/C=c1/ccc(-c2cccc(C)c2)cc1=C.CCC
InChIInChI=1S/C23H24.C3H8/c1-16(2)12-18(4)19(5)14-21-10-11-23(15-20(21)6)22-9-7-8-17(3)13-22;1-3-2/h7-15H,1,5-6H2,2-4H3;3H2,1-2H3/b18-12+,21-14-;
InChIKeyZMERWRVQMMHWTN-BKOJHVERSA-N
MW344.54 g/mol
LogP6.35
Rot. Bonds4

About (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane

(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane (PubChem CID 143566980) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane.

Molecular Properties

Compound Name(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane
PubChem CID143566980
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane
SMILESC=C(C)/C=C(\C)C(=C)/C=c1/ccc(-c2cccc(C)c2)cc1=C.CCC
InChIInChI=1S/C23H24.C3H8/c1-16(2)12-18(4)19(5)14-21-10-11-23(15-20(21)6)22-9-7-8-17(3)13-22;1-3-2/h7-15H,1,5-6H2,2-4H3;3H2,1-2H3/b18-12+,21-14-;
InChIKeyZMERWRVQMMHWTN-BKOJHVERSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-methyl-6-methylidene-5-[(Z)-2-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143566658
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
N-[4-(3-methylphenyl)phenyl]acetamide;propane
CID 142236943
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
CID 23063595
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane?
The IUPAC name of (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane (CID 143566980) is (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane.
What is the SMILES notation for (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane?
The canonical SMILES for (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane is C=C(C)/C=C(\C)C(=C)/C=c1/ccc(-c2cccc(C)c2)cc1=C.CCC.
What is the InChIKey of (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane?
The InChIKey is ZMERWRVQMMHWTN-BKOJHVERSA-N. The full InChI is InChI=1S/C23H24.C3H8/c1-16(2)12-18(4)19(5)14-21-10-11-23(15-20(21)6)22-9-7-8-17(3)13-22;1-3-2/h7-15H,1,5-6H2,2-4H3;3H2,1-2H3/b18-12+,21-14-;.
What are the key properties of (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane?
(5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane has a molecular weight of 344.54 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3E)-3,5-dimethyl-2-methylidenehexa-3,5-dienylidene]-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene;propane is sourced from PubChem (CID 143566980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).