3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane

C26H28P2S2 — CID 59207297

IUPAC3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane
SMILESPCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCP)cc4)s3)s2)cc1
InChIInChI=1S/C26H28P2S2/c27-17-1-3-19-5-9-21(10-6-19)23-13-15-25(29-23)26-16-14-24(30-26)22-11-7-20(8-12-22)4-2-18-28/h5-16H,1-4,17-18,27-28H2
InChIKeyGCXUSHCLXZCYRE-UHFFFAOYSA-N
MW466.59 g/mol
LogP8.43
Rot. Bonds9

About 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane

3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane (PubChem CID 59207297) has the molecular formula C26H28P2S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane.

Molecular Properties

Compound Name3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane
PubChem CID59207297
Molecular FormulaC26H28P2S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC Name3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane
SMILESPCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCP)cc4)s3)s2)cc1
InChIInChI=1S/C26H28P2S2/c27-17-1-3-19-5-9-21(10-6-19)23-13-15-25(29-23)26-16-14-24(30-26)22-11-7-20(8-12-22)4-2-18-28/h5-16H,1-4,17-18,27-28H2
InChIKeyGCXUSHCLXZCYRE-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane 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

2-(4-ethylphenyl)-5-[5-[5-[5-[5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 139982263
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
3-[4-(3-methylphenyl)phenyl]propylphosphane
CID 143253756
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
3-methyl-3-[6-[4-[5-[5-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]hexoxymethyl]oxetane
CID 101378720
penta-1,4-dien-3-yl 5-[4-[5-[5-[4-(5-oxo-5-penta-1,4-dien-3-yloxypentyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]pentanoate
CID 59207325
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane?
The IUPAC name of 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane (CID 59207297) is 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane.
What is the SMILES notation for 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane?
The canonical SMILES for 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane is PCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCP)cc4)s3)s2)cc1.
What is the InChIKey of 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane?
The InChIKey is GCXUSHCLXZCYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28P2S2/c27-17-1-3-19-5-9-21(10-6-19)23-13-15-25(29-23)26-16-14-24(30-26)22-11-7-20(8-12-22)4-2-18-28/h5-16H,1-4,17-18,27-28H2.
What are the key properties of 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane?
3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane has a molecular weight of 466.59 g/mol, XLogP of 8.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane is sourced from PubChem (CID 59207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).