1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene

C19H18 — CID 175734121

IUPAC1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
SMILESC/C=C/C=C/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h2-16H,1H3/b3-2+,5-4+,10-7+
InChIKeyKSNUJOSUTJNOKC-QVRCICKPSA-N
MW246.35 g/mol
LogP5.50
Rot. Bonds4

About 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene

1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene (PubChem CID 175734121) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
PubChem CID175734121
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
SMILESC/C=C/C=C/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h2-16H,1H3/b3-2+,5-4+,10-7+
InChIKeyKSNUJOSUTJNOKC-QVRCICKPSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.50
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-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
CID 155487828
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-9-(4-methylphenyl)-6-phenylcarbazole
CID 143904791
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
3-[(1E,3E)-penta-1,3-dienyl]-N-[4-[4-(N-[3-[(1E,3E)-penta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 89086640
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene?
The IUPAC name of 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene (CID 175734121) is 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene?
The canonical SMILES for 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene is C/C=C/C=C/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene?
The InChIKey is KSNUJOSUTJNOKC-QVRCICKPSA-N. The full InChI is InChI=1S/C19H18/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h2-16H,1H3/b3-2+,5-4+,10-7+.
What are the key properties of 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene?
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene has a molecular weight of 246.35 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene is sourced from PubChem (CID 175734121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).