[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane

C25H31P — CID 144737043

IUPAC[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane
SMILESCC1=CC=C(C2=CC=C(/C(C)=C/C=C(\C)C3=CC=C(P)CC3)CC2)CC1
InChIInChI=1S/C25H31P/c1-18-4-8-23(9-5-18)24-12-10-21(11-13-24)19(2)6-7-20(3)22-14-16-25(26)17-15-22/h4,6-8,10,12,14,16H,5,9,11,13,15,17,26H2,1-3H3/b19-6+,20-7+
InChIKeyKPPDDZWWZXXDHO-UPICDLATSA-N
MW362.50 g/mol
LogP7.67
Rot. Bonds4

About [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane

[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane (PubChem CID 144737043) has the molecular formula C25H31P and a molecular weight of 362.50 g/mol. Its IUPAC name is [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Name[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane
PubChem CID144737043
Molecular FormulaC25H31P
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Name[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane
SMILESCC1=CC=C(C2=CC=C(/C(C)=C/C=C(\C)C3=CC=C(P)CC3)CC2)CC1
InChIInChI=1S/C25H31P/c1-18-4-8-23(9-5-18)24-12-10-21(11-13-24)19(2)6-7-20(3)22-14-16-25(26)17-15-22/h4,6-8,10,12,14,16H,5,9,11,13,15,17,26H2,1-3H3/b19-6+,20-7+
InChIKeyKPPDDZWWZXXDHO-UPICDLATSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane with MolForge

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Launch Full Analysis

Related Compounds

1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440
1-methyl-4-[3,3,4,4-tetrafluoro-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,5-dien-2-yl]cyclohexa-1,3-diene
CID 144809527
[4-[5-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)hexa-1,5-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane;ethane
CID 144736948
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
CID 143958487
CID 143958487
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene
CID 123766505
1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
CID 163869651
2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074

Frequently Asked Questions

What is the IUPAC name of [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane?
The IUPAC name of [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane (CID 144737043) is [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane.
What is the SMILES notation for [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane?
The canonical SMILES for [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane is CC1=CC=C(C2=CC=C(/C(C)=C/C=C(\C)C3=CC=C(P)CC3)CC2)CC1.
What is the InChIKey of [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane?
The InChIKey is KPPDDZWWZXXDHO-UPICDLATSA-N. The full InChI is InChI=1S/C25H31P/c1-18-4-8-23(9-5-18)24-12-10-21(11-13-24)19(2)6-7-20(3)22-14-16-25(26)17-15-22/h4,6-8,10,12,14,16H,5,9,11,13,15,17,26H2,1-3H3/b19-6+,20-7+.
What are the key properties of [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane?
[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane has a molecular weight of 362.50 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 144737043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).