2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine

C24H27NS — CID 144815826

IUPAC2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine
SMILESCc1cc2sc3c(C(C)C)cccc3c2cc1C1C=C(C(C)C)C=CN1
InChIInChI=1S/C24H27NS/c1-14(2)17-9-10-25-22(12-17)20-13-21-19-8-6-7-18(15(3)4)24(19)26-23(21)11-16(20)5/h6-15,22,25H,1-5H3
InChIKeyBDPQFICZLVDZSQ-UHFFFAOYSA-N
MW361.55 g/mol
LogP7.23
Rot. Bonds3

About 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine

2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine (PubChem CID 144815826) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine
PubChem CID144815826
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC Name2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine
SMILESCc1cc2sc3c(C(C)C)cccc3c2cc1C1C=C(C(C)C)C=CN1
InChIInChI=1S/C24H27NS/c1-14(2)17-9-10-25-22(12-17)20-13-21-19-8-6-7-18(15(3)4)24(19)26-23(21)11-16(20)5/h6-15,22,25H,1-5H3
InChIKeyBDPQFICZLVDZSQ-UHFFFAOYSA-N
XLogP7.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine 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 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine (CID 144815826) is 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine is Cc1cc2sc3c(C(C)C)cccc3c2cc1C1C=C(C(C)C)C=CN1.
What is the InChIKey of 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine?
The InChIKey is BDPQFICZLVDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c1-14(2)17-9-10-25-22(12-17)20-13-21-19-8-6-7-18(15(3)4)24(19)26-23(21)11-16(20)5/h6-15,22,25H,1-5H3.
What are the key properties of 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine?
2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine has a molecular weight of 361.55 g/mol, XLogP of 7.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 144815826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).