2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene

C24H30S2 — CID 90194983

IUPAC2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene
SMILESCc1sc(-c2c(C)c(C)c(-c3sc(C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H30S2/c1-11-17(7)23(25-19(11)9)21-13(3)15(5)22(16(6)14(21)4)24-18(8)12(2)20(10)26-24/h1-10H3
InChIKeyYFACLNCJAORDBN-UHFFFAOYSA-N
MW382.64 g/mol
LogP8.23
Rot. Bonds2

About 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene

2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene (PubChem CID 90194983) has the molecular formula C24H30S2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene
PubChem CID90194983
Molecular FormulaC24H30S2
Molecular Weight382.64 g/mol
Exact Mass382.18
IUPAC Name2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene
SMILESCc1sc(-c2c(C)c(C)c(-c3sc(C)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H30S2/c1-11-17(7)23(25-19(11)9)21-13(3)15(5)22(16(6)14(21)4)24-18(8)12(2)20(10)26-24/h1-10H3
InChIKeyYFACLNCJAORDBN-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene (CID 90194983) is 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene is Cc1sc(-c2c(C)c(C)c(-c3sc(C)c(C)c3C)c(C)c2C)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene?
The InChIKey is YFACLNCJAORDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30S2/c1-11-17(7)23(25-19(11)9)21-13(3)15(5)22(16(6)14(21)4)24-18(8)12(2)20(10)26-24/h1-10H3.
What are the key properties of 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene?
2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene has a molecular weight of 382.64 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-[2,3,5,6-tetramethyl-4-(3,4,5-trimethylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 90194983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).