[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete

C22H24N2 — CID 143422524

IUPAC[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete
SMILESC=C/C(=C\C=C/C)c1ccccc1.Cn1cc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H14.C9H10N2/c1-3-5-9-12(4-2)13-10-7-6-8-11-13;1-11-7-9(10-11)8-5-3-2-4-6-8/h3-11H,2H2,1H3;2-7,10H,1H3/b5-3-,12-9+;
InChIKeyRQYTWTZXMWVOIQ-QWYOJGFYSA-N
MW316.45 g/mol
LogP5.85
Rot. Bonds4

About [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete

[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete (PubChem CID 143422524) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete
PubChem CID143422524
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete
SMILESC=C/C(=C\C=C/C)c1ccccc1.Cn1cc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H14.C9H10N2/c1-3-5-9-12(4-2)13-10-7-6-8-11-13;1-11-7-9(10-11)8-5-3-2-4-6-8/h3-11H,2H2,1H3;2-7,10H,1H3/b5-3-,12-9+;
InChIKeyRQYTWTZXMWVOIQ-QWYOJGFYSA-N
XLogP5.85
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
2-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]pyridine
CID 121313286
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
1-butyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-2-phenylimidazole
CID 142815100
3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N,N-dimethylaniline
CID 145264859
N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 145237297
[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 14747138
[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145217979
5,12-bis[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6,11-diphenyltetracene
CID 144761623
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete (CID 143422524) is [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete is C=C/C(=C\C=C/C)c1ccccc1.Cn1cc(-c2ccccc2)[nH]1.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete?
The InChIKey is RQYTWTZXMWVOIQ-QWYOJGFYSA-N. The full InChI is InChI=1S/C13H14.C9H10N2/c1-3-5-9-12(4-2)13-10-7-6-8-11-13;1-11-7-9(10-11)8-5-3-2-4-6-8/h3-11H,2H2,1H3;2-7,10H,1H3/b5-3-,12-9+;.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete?
[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete has a molecular weight of 316.45 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete is sourced from PubChem (CID 143422524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).