1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene

C22H22 — CID 142955169

IUPAC1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene
SMILESC=C/C=C(\C)c1cc(C(=C)/C=C\C)cc(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-5-10-17(3)20-14-21(18(4)11-6-2)16-22(15-20)19-12-8-7-9-13-19/h5-16H,1,4H2,2-3H3/b11-6-,17-10+
InChIKeyOHYJKDZVIDPUAL-PBXPXZMASA-N
MW286.42 g/mol
LogP6.53
Rot. Bonds5

About 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene

1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene (PubChem CID 142955169) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene.

Molecular Properties

Compound Name1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene
PubChem CID142955169
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene
SMILESC=C/C=C(\C)c1cc(C(=C)/C=C\C)cc(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-5-10-17(3)20-14-21(18(4)11-6-2)16-22(15-20)19-12-8-7-9-13-19/h5-16H,1,4H2,2-3H3/b11-6-,17-10+
InChIKeyOHYJKDZVIDPUAL-PBXPXZMASA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-penta-1,3-dien-3-yl-3-(4-penta-1,3-dien-2-ylphenyl)-5-(4-penta-2,4-dien-2-ylphenyl)phenyl]phenyl]-phenylmethanone
CID 123166149
19-[3-[3-[(2E)-penta-2,4-dien-2-yl]-5-[(3Z)-penta-1,3-dien-2-yl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
CID 145326937
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203
1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-N-methylethenamine
CID 144892717
3-[(E)-but-2-en-2-yl]-5-phenylphenol
CID 143650351
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
CID 174013774
5-[(2E)-penta-2,4-dien-2-yl]-2-phenyl-1,3-benzoxazole
CID 163667445
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene?
The IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene (CID 142955169) is 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene.
What is the SMILES notation for 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene?
The canonical SMILES for 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene is C=C/C=C(\C)c1cc(C(=C)/C=C\C)cc(-c2ccccc2)c1.
What is the InChIKey of 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene?
The InChIKey is OHYJKDZVIDPUAL-PBXPXZMASA-N. The full InChI is InChI=1S/C22H22/c1-5-10-17(3)20-14-21(18(4)11-6-2)16-22(15-20)19-12-8-7-9-13-19/h5-16H,1,4H2,2-3H3/b11-6-,17-10+.
What are the key properties of 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene?
1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene is sourced from PubChem (CID 142955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).