cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane

C18H19P — CID 123441058

IUPACcyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
SMILESC1=CCC(P(C2=CCCC=C2)c2ccccc2)C=C1
InChIInChI=1S/C18H19P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-8,10-12,14-15,17H,3,9,13H2
InChIKeyYTXFCSVJHCEJAT-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.91
Rot. Bonds3

About cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane

cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane (PubChem CID 123441058) has the molecular formula C18H19P and a molecular weight of 266.32 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
PubChem CID123441058
Molecular FormulaC18H19P
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
SMILESC1=CCC(P(C2=CCCC=C2)c2ccccc2)C=C1
InChIInChI=1S/C18H19P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-8,10-12,14-15,17H,3,9,13H2
InChIKeyYTXFCSVJHCEJAT-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[2-[6-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)phosphanyl]cyclohexen-1-yl]oxyphenyl]phosphane
CID 130389235
chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
CID 143889847
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
CID 118629545
(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
CID 166796367
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752667
benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752666
cyclohexa-2,4-dien-1-yl-phenyl-(6-pyren-1-yl-3-pyridinyl)phosphane
CID 123871170
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
CID 163974789
[(2R)-2-[(1S)-cyclopent-2-en-1-yl]cyclopent-3-en-1-yl]-diphenylphosphane
CID 162273744
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?
The IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane (CID 123441058) is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane is C1=CCC(P(C2=CCCC=C2)c2ccccc2)C=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?
The InChIKey is YTXFCSVJHCEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-8,10-12,14-15,17H,3,9,13H2.
What are the key properties of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane has a molecular weight of 266.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane is sourced from PubChem (CID 123441058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).