4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene

C41H48S2 — CID 139962824

IUPAC4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene
SMILESCC(C)c1csc(C2=Cc3cccc(C(C)C)c3C2C(C)(C)C2C(c3cc(C(C)C)cs3)=Cc3cccc(C(C)C)c32)c1
InChIInChI=1S/C41H48S2/c1-23(2)29-19-35(42-21-29)33-17-27-13-11-15-31(25(5)6)37(27)39(33)41(9,10)40-34(36-20-30(22-43-36)24(3)4)18-28-14-12-16-32(26(7)8)38(28)40/h11-26,39-40H,1-10H3
InChIKeyYAJNZUKVOCSCBO-UHFFFAOYSA-N
MW604.97 g/mol
LogP13.31
Rot. Bonds8

About 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene

4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene (PubChem CID 139962824) has the molecular formula C41H48S2 and a molecular weight of 604.97 g/mol. Its IUPAC name is 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene.

Molecular Properties

Compound Name4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene
PubChem CID139962824
Molecular FormulaC41H48S2
Molecular Weight604.97 g/mol
Exact Mass604.32
IUPAC Name4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene
SMILESCC(C)c1csc(C2=Cc3cccc(C(C)C)c3C2C(C)(C)C2C(c3cc(C(C)C)cs3)=Cc3cccc(C(C)C)c32)c1
InChIInChI=1S/C41H48S2/c1-23(2)29-19-35(42-21-29)33-17-27-13-11-15-31(25(5)6)37(27)39(33)41(9,10)40-34(36-20-30(22-43-36)24(3)4)18-28-14-12-16-32(26(7)8)38(28)40/h11-26,39-40H,1-10H3
InChIKeyYAJNZUKVOCSCBO-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene 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

4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
CID 139962844
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
1,6-di(propan-2-yl)naphthalene
CID 3016596
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
CID 59476288
1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid
CID 158073551
2,3-di(propan-2-yl)-5-(3-propan-2-ylphenyl)thiophene
CID 58462658
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene?
The IUPAC name of 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene (CID 139962824) is 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene.
What is the SMILES notation for 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene?
The canonical SMILES for 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene is CC(C)c1csc(C2=Cc3cccc(C(C)C)c3C2C(C)(C)C2C(c3cc(C(C)C)cs3)=Cc3cccc(C(C)C)c32)c1.
What is the InChIKey of 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene?
The InChIKey is YAJNZUKVOCSCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48S2/c1-23(2)29-19-35(42-21-29)33-17-27-13-11-15-31(25(5)6)37(27)39(33)41(9,10)40-34(36-20-30(22-43-36)24(3)4)18-28-14-12-16-32(26(7)8)38(28)40/h11-26,39-40H,1-10H3.
What are the key properties of 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene?
4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene has a molecular weight of 604.97 g/mol, XLogP of 13.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[7-propan-2-yl-1-[2-[7-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]thiophene is sourced from PubChem (CID 139962824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).