1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene

C28H26 — CID 145266518

IUPAC1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene
SMILESC=C/C=C(/C)c1c(C)c(-c2ccccc2)c(C=C)c(C=C)c1-c1ccccc1
InChIInChI=1S/C28H26/c1-6-15-20(4)26-21(5)27(22-16-11-9-12-17-22)24(7-2)25(8-3)28(26)23-18-13-10-14-19-23/h6-19H,1-3H2,4-5H3/b20-15-
InChIKeyFOCSPLAKSODZJW-HKWRFOASSA-N
MW362.52 g/mol
LogP8.20
Rot. Bonds6

About 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene

1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene (PubChem CID 145266518) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene
PubChem CID145266518
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene
SMILESC=C/C=C(/C)c1c(C)c(-c2ccccc2)c(C=C)c(C=C)c1-c1ccccc1
InChIInChI=1S/C28H26/c1-6-15-20(4)26-21(5)27(22-16-11-9-12-17-22)24(7-2)25(8-3)28(26)23-18-13-10-14-19-23/h6-19H,1-3H2,4-5H3/b20-15-
InChIKeyFOCSPLAKSODZJW-HKWRFOASSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 58.20
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

1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
CID 174013774
1,4-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,5,6-triphenylbenzene;ethane;propane
CID 144768780
1-methyl-3-methylsulfanyl-2-[(2E)-penta-2,4-dien-2-yl]benzene
CID 145447522
1-[2,3-bis(ethenyl)-4-phenylphenyl]-2,3-bis(ethenyl)-4-phenylnaphthalene;ethane
CID 145309553
2,3-bis(ethenyl)-5-methylidene-1,4-diphenylbenzo[7]annulene
CID 145266623
ethyl 3-anilino-5-[(1Z)-buta-1,3-dienyl]-4-hydroxy-2-methyl-6-phenylbenzoate
CID 25034225
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-N,1-N,4-N,4-N-tetrakis(3-methylphenyl)-3-phenylbenzene-1,4-diamine
CID 89267306
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
3-ethenyl-2,4,6-triphenylphenol
CID 174543439
3-ethenyl-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-6,7-dimethyl-2-[(Z)-2-methylbut-1-enyl]-4-phenylnaphthalene
CID 144926086

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene?
The IUPAC name of 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene (CID 145266518) is 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene is C=C/C=C(/C)c1c(C)c(-c2ccccc2)c(C=C)c(C=C)c1-c1ccccc1.
What is the InChIKey of 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene?
The InChIKey is FOCSPLAKSODZJW-HKWRFOASSA-N. The full InChI is InChI=1S/C28H26/c1-6-15-20(4)26-21(5)27(22-16-11-9-12-17-22)24(7-2)25(8-3)28(26)23-18-13-10-14-19-23/h6-19H,1-3H2,4-5H3/b20-15-.
What are the key properties of 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene?
1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene has a molecular weight of 362.52 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4-methyl-5-[(2Z)-penta-2,4-dien-2-yl]-3,6-diphenylbenzene is sourced from PubChem (CID 145266518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).