1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene

C34H40 — CID 140774698

IUPAC1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(CCc3ccc(CC/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C34H40/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h3-6,9-10,15-26H,7-8,11-14,27-28H2,1-2H3/b5-3+,6-4+,10-9+
InChIKeyIKMBICXQWIHVQQ-MZCOLXIVSA-N
MW448.69 g/mol
LogP8.83
Rot. Bonds13

About 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene

1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene (PubChem CID 140774698) has the molecular formula C34H40 and a molecular weight of 448.69 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
PubChem CID140774698
Molecular FormulaC34H40
Molecular Weight448.69 g/mol
Exact Mass448.31
IUPAC Name1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(CCc3ccc(CC/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C34H40/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h3-6,9-10,15-26H,7-8,11-14,27-28H2,1-2H3/b5-3+,6-4+,10-9+
InChIKeyIKMBICXQWIHVQQ-MZCOLXIVSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
CID 126610190
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
pent-3-enylbenzene
CID 519421
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-but-2-enyl-4-(2-chloroethyl)benzene
CID 175436209
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene?
The IUPAC name of 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene (CID 140774698) is 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene is C/C=C/CCc1ccc(C/C=C/Cc2ccc(CCc3ccc(CC/C=C/C)cc3)cc2)cc1.
What is the InChIKey of 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene?
The InChIKey is IKMBICXQWIHVQQ-MZCOLXIVSA-N. The full InChI is InChI=1S/C34H40/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h3-6,9-10,15-26H,7-8,11-14,27-28H2,1-2H3/b5-3+,6-4+,10-9+.
What are the key properties of 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene?
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene has a molecular weight of 448.69 g/mol, XLogP of 8.83, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene is sourced from PubChem (CID 140774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).