1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene

C22H24 — CID 145141221

IUPAC1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene
SMILESC=C/C=C(\C(=C)c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C22H24/c1-6-10-21(22(3,4)5)17(2)18-13-15-20(16-14-18)19-11-8-7-9-12-19/h6-16H,1-2H2,3-5H3/b21-10+
InChIKeyMABOTLWDBVMZJO-UFFVCSGVSA-N
MW288.43 g/mol
LogP6.53
Rot. Bonds4

About 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene

1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene (PubChem CID 145141221) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene
PubChem CID145141221
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene
SMILESC=C/C=C(\C(=C)c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C22H24/c1-6-10-21(22(3,4)5)17(2)18-13-15-20(16-14-18)19-11-8-7-9-12-19/h6-16H,1-2H2,3-5H3/b21-10+
InChIKeyMABOTLWDBVMZJO-UFFVCSGVSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.53
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

1-(4-phenylphenyl)ethenol
CID 89336300
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203
1-(1-bromoethenyl)-4-phenylbenzene
CID 14972758
1-(4-phenylphenyl)ethenethiol
CID 142504756
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene?
The IUPAC name of 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene (CID 145141221) is 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene.
What is the SMILES notation for 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene?
The canonical SMILES for 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene is C=C/C=C(\C(=C)c1ccc(-c2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene?
The InChIKey is MABOTLWDBVMZJO-UFFVCSGVSA-N. The full InChI is InChI=1S/C22H24/c1-6-10-21(22(3,4)5)17(2)18-13-15-20(16-14-18)19-11-8-7-9-12-19/h6-16H,1-2H2,3-5H3/b21-10+.
What are the key properties of 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene?
1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene has a molecular weight of 288.43 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene is sourced from PubChem (CID 145141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).