2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine

C36H41NS — CID 176835562

IUPAC2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
SMILESCc1cc(CC(C)(C)C)cc(C)c1-c1sc2c(-c3cc(C(C)C)c4ccccc4c3)nccc2c1C(C)C
InChIInChI=1S/C36H41NS/c1-21(2)30-19-27(18-26-12-10-11-13-28(26)30)33-34-29(14-15-37-33)31(22(3)4)35(38-34)32-23(5)16-25(17-24(32)6)20-36(7,8)9/h10-19,21-22H,20H2,1-9H3
InChIKeyHFVCXSNZVQCSRQ-UHFFFAOYSA-N
MW519.80 g/mol
LogP11.24
Rot. Bonds5

About 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine

2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine (PubChem CID 176835562) has the molecular formula C36H41NS and a molecular weight of 519.80 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
PubChem CID176835562
Molecular FormulaC36H41NS
Molecular Weight519.80 g/mol
Exact Mass519.30
IUPAC Name2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
SMILESCc1cc(CC(C)(C)C)cc(C)c1-c1sc2c(-c3cc(C(C)C)c4ccccc4c3)nccc2c1C(C)C
InChIInChI=1S/C36H41NS/c1-21(2)30-19-27(18-26-12-10-11-13-28(26)30)33-34-29(14-15-37-33)31(22(3)4)35(38-34)32-23(5)16-25(17-24(32)6)20-36(7,8)9/h10-19,21-22H,20H2,1-9H3
InChIKeyHFVCXSNZVQCSRQ-UHFFFAOYSA-N
XLogP11.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.80
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine with MolForge

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-ylthieno[2,3-c]pyridine
CID 163485977
7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine
CID 168837332
trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
2-[4-(2,2-dimethylpropyl)phenyl]-3-methyl-7-(7-methyl-5-phenyl-4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171746735
2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171578829
7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine
CID 163447469
4-(4-tert-butylnaphthalen-2-yl)-2-deuterio-6-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-7-methylthieno[3,2-d]pyrimidine
CID 164932074
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-ylthieno[2,3-c]pyridine;iridium;(Z)-1,1,1-trifluoro-5-hydroxy-2,2,6-trimethylhept-4-en-3-one
CID 164703073
trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
CID 166018657
3-tert-butyl-7-(4-cyclohexylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 163843859
[3-deuterio-3-fluoro-3-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]propyl]-trimethylsilane
CID 170533877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine (CID 176835562) is 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine is Cc1cc(CC(C)(C)C)cc(C)c1-c1sc2c(-c3cc(C(C)C)c4ccccc4c3)nccc2c1C(C)C.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine?
The InChIKey is HFVCXSNZVQCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41NS/c1-21(2)30-19-27(18-26-12-10-11-13-28(26)30)33-34-29(14-15-37-33)31(22(3)4)35(38-34)32-23(5)16-25(17-24(32)6)20-36(7,8)9/h10-19,21-22H,20H2,1-9H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine?
2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine has a molecular weight of 519.80 g/mol, XLogP of 11.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 176835562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).