1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene

C30H26 — CID 145302903

IUPAC1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene
SMILESC=C1CC=C/C1=C/C=C\c1ccc(-c2ccc(/C=C\C=C3\C=CC=CC3)cc2)cc1
InChIInChI=1S/C30H26/c1-24-8-5-14-28(24)15-7-13-27-18-22-30(23-19-27)29-20-16-26(17-21-29)12-6-11-25-9-3-2-4-10-25/h2-7,9,11-23H,1,8,10H2/b12-6-,13-7-,25-11-,28-15-
InChIKeyPECTUXSDDREGJE-AWGHDOIJSA-N
MW386.54 g/mol
LogP8.27
Rot. Bonds5

About 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene

1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene (PubChem CID 145302903) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene
PubChem CID145302903
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene
SMILESC=C1CC=C/C1=C/C=C\c1ccc(-c2ccc(/C=C\C=C3\C=CC=CC3)cc2)cc1
InChIInChI=1S/C30H26/c1-24-8-5-14-28(24)15-7-13-27-18-22-30(23-19-27)29-20-16-26(17-21-29)12-6-11-25-9-3-2-4-10-25/h2-7,9,11-23H,1,8,10H2/b12-6-,13-7-,25-11-,28-15-
InChIKeyPECTUXSDDREGJE-AWGHDOIJSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene?
The IUPAC name of 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene (CID 145302903) is 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene?
The canonical SMILES for 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene is C=C1CC=C/C1=C/C=C\c1ccc(-c2ccc(/C=C\C=C3\C=CC=CC3)cc2)cc1.
What is the InChIKey of 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene?
The InChIKey is PECTUXSDDREGJE-AWGHDOIJSA-N. The full InChI is InChI=1S/C30H26/c1-24-8-5-14-28(24)15-7-13-27-18-22-30(23-19-27)29-20-16-26(17-21-29)12-6-11-25-9-3-2-4-10-25/h2-7,9,11-23H,1,8,10H2/b12-6-,13-7-,25-11-,28-15-.
What are the key properties of 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene?
1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene has a molecular weight of 386.54 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene is sourced from PubChem (CID 145302903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).