4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C29H32S4 — CID 90863260

IUPAC4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)(C)c1ccc(C=Cc2ccc(-c3cc4c(s3)-c3sc(C(C)(C)C)cc3C4(C)C)s2)s1
InChIInChI=1S/C29H32S4/c1-27(2,3)23-14-12-18(31-23)10-9-17-11-13-21(30-17)22-15-19-25(32-22)26-20(29(19,7)8)16-24(33-26)28(4,5)6/h9-16H,1-8H3
InChIKeyDYXHJUZLHMWSFI-UHFFFAOYSA-N
MW508.84 g/mol
LogP10.67
Rot. Bonds3

About 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 90863260) has the molecular formula C29H32S4 and a molecular weight of 508.84 g/mol. Its IUPAC name is 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID90863260
Molecular FormulaC29H32S4
Molecular Weight508.84 g/mol
Exact Mass508.14
IUPAC Name4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCC(C)(C)c1ccc(C=Cc2ccc(-c3cc4c(s3)-c3sc(C(C)(C)C)cc3C4(C)C)s2)s1
InChIInChI=1S/C29H32S4/c1-27(2,3)23-14-12-18(31-23)10-9-17-11-13-21(30-17)22-15-19-25(32-22)26-20(29(19,7)8)16-24(33-26)28(4,5)6/h9-16H,1-8H3
InChIKeyDYXHJUZLHMWSFI-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.84
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 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 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 90863260) is 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CC(C)(C)c1ccc(C=Cc2ccc(-c3cc4c(s3)-c3sc(C(C)(C)C)cc3C4(C)C)s2)s1.
What is the InChIKey of 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is DYXHJUZLHMWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32S4/c1-27(2,3)23-14-12-18(31-23)10-9-17-11-13-21(30-17)22-15-19-25(32-22)26-20(29(19,7)8)16-24(33-26)28(4,5)6/h9-16H,1-8H3.
What are the key properties of 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 508.84 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-10-[5-[2-(5-tert-butylthiophen-2-yl)ethenyl]thiophen-2-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 90863260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).