1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene

C33H30 — CID 144527503

IUPAC1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
SMILESCCC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCCC=C3)cc2)cc1
InChIInChI=1S/C33H30/c1-2-33(31-21-17-28(18-22-31)26-11-7-4-8-12-26)32-23-19-30(20-24-32)29-15-13-27(14-16-29)25-9-5-3-6-10-25/h4-5,7-24,33H,2-3,6H2,1H3
InChIKeyQXWIXJHPEUTBSZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP9.30
Rot. Bonds6

About 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene

1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene (PubChem CID 144527503) has the molecular formula C33H30 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
PubChem CID144527503
Molecular FormulaC33H30
Molecular Weight426.60 g/mol
Exact Mass426.23
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
SMILESCCC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCCC=C3)cc2)cc1
InChIInChI=1S/C33H30/c1-2-33(31-21-17-28(18-22-31)26-11-7-4-8-12-26)32-23-19-30(20-24-32)29-15-13-27(14-16-29)25-9-5-3-6-10-25/h4-5,7-24,33H,2-3,6H2,1H3
InChIKeyQXWIXJHPEUTBSZ-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene (CID 144527503) is 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene is CCC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C3=CCCC=C3)cc2)cc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene?
The InChIKey is QXWIXJHPEUTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30/c1-2-33(31-21-17-28(18-22-31)26-11-7-4-8-12-26)32-23-19-30(20-24-32)29-15-13-27(14-16-29)25-9-5-3-6-10-25/h4-5,7-24,33H,2-3,6H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene?
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene has a molecular weight of 426.60 g/mol, XLogP of 9.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene is sourced from PubChem (CID 144527503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).