ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene

C21H26 — CID 165141604

IUPACethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
SMILESC/C=C(\C=C/CC)c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C19H20.C2H6/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17;1-2/h4-15H,3H2,1-2H3;1-2H3/b9-5-,16-4+;
InChIKeyPZCWWGBVFWQROK-AIJHPKNYSA-N
MW278.44 g/mol
LogP6.75
Rot. Bonds4

About ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene

ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene (PubChem CID 165141604) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
PubChem CID165141604
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Nameethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
SMILESC/C=C(\C=C/CC)c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C19H20.C2H6/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17;1-2/h4-15H,3H2,1-2H3;1-2H3/b9-5-,16-4+;
InChIKeyPZCWWGBVFWQROK-AIJHPKNYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.75
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-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
ethane;2-[(2E,4Z)-hepta-2,4-dien-3-yl]-7-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 144577717
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317
(Z)-N-methyl-1-(4-phenylphenyl)pent-2-en-1-imine
CID 142417690
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
2-[10-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143535661
N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
CID 156827248
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
1-nona-2,4,7-trien-3-yl-3-phenylbenzene
CID 123251128

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene?
The IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene (CID 165141604) is ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene.
What is the SMILES notation for ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene?
The canonical SMILES for ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene is C/C=C(\C=C/CC)c1ccc(-c2ccccc2)cc1.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene?
The InChIKey is PZCWWGBVFWQROK-AIJHPKNYSA-N. The full InChI is InChI=1S/C19H20.C2H6/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17;1-2/h4-15H,3H2,1-2H3;1-2H3/b9-5-,16-4+;.
What are the key properties of ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene?
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene has a molecular weight of 278.44 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene is sourced from PubChem (CID 165141604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).