3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene

C41H30F6S2 — CID 90397587

IUPAC3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(C3=C(c4cc(-c5ccc(C)cc5)sc4-c4ccc(C)cc4)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C41H30F6S2/c1-23-5-13-27(14-6-23)33-21-31(37(48-33)29-17-9-25(3)10-18-29)35-36(40(44,45)41(46,47)39(35,42)43)32-22-34(28-15-7-24(2)8-16-28)49-38(32)30-19-11-26(4)12-20-30/h5-22H,1-4H3
InChIKeyHSNAMVNAHMKAEW-UHFFFAOYSA-N
MW700.81 g/mol
LogP13.54
Rot. Bonds6

About 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene

3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene (PubChem CID 90397587) has the molecular formula C41H30F6S2 and a molecular weight of 700.81 g/mol. Its IUPAC name is 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene.

Molecular Properties

Compound Name3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene
PubChem CID90397587
Molecular FormulaC41H30F6S2
Molecular Weight700.81 g/mol
Exact Mass700.17
IUPAC Name3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(C3=C(c4cc(-c5ccc(C)cc5)sc4-c4ccc(C)cc4)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C41H30F6S2/c1-23-5-13-27(14-6-23)33-21-31(37(48-33)29-17-9-25(3)10-18-29)35-36(40(44,45)41(46,47)39(35,42)43)32-22-34(28-15-7-24(2)8-16-28)49-38(32)30-19-11-26(4)12-20-30/h5-22H,1-4H3
InChIKeyHSNAMVNAHMKAEW-UHFFFAOYSA-N
XLogP13.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.81
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene?
The IUPAC name of 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene (CID 90397587) is 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene.
What is the SMILES notation for 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene?
The canonical SMILES for 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene is Cc1ccc(-c2cc(C3=C(c4cc(-c5ccc(C)cc5)sc4-c4ccc(C)cc4)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C)cc3)s2)cc1.
What is the InChIKey of 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene?
The InChIKey is HSNAMVNAHMKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30F6S2/c1-23-5-13-27(14-6-23)33-21-31(37(48-33)29-17-9-25(3)10-18-29)35-36(40(44,45)41(46,47)39(35,42)43)32-22-34(28-15-7-24(2)8-16-28)49-38(32)30-19-11-26(4)12-20-30/h5-22H,1-4H3.
What are the key properties of 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene?
3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene has a molecular weight of 700.81 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene is sourced from PubChem (CID 90397587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).