7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine

C35H39NS — CID 168837332

IUPAC7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine
SMILESCc1cc2cc(-c3nccc4c(C)c(-c5ccc(CC(C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C
InChIInChI=1S/C35H39NS/c1-20(2)30-18-27(17-26-15-21(3)22(4)16-31(26)30)32-34-29(12-13-36-32)24(6)33(37-34)28-11-10-25(14-23(28)5)19-35(7,8)9/h10-18,20H,19H2,1-9H3
InChIKeyZDTLRVMMSKPYKC-UHFFFAOYSA-N
MW505.77 g/mol
LogP10.73
Rot. Bonds4

About 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine

7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine (PubChem CID 168837332) has the molecular formula C35H39NS and a molecular weight of 505.77 g/mol. Its IUPAC name is 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine
PubChem CID168837332
Molecular FormulaC35H39NS
Molecular Weight505.77 g/mol
Exact Mass505.28
IUPAC Name7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine
SMILESCc1cc2cc(-c3nccc4c(C)c(-c5ccc(CC(C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C
InChIInChI=1S/C35H39NS/c1-20(2)30-18-27(17-26-15-21(3)22(4)16-31(26)30)32-34-29(12-13-36-32)24(6)33(37-34)28-11-10-25(14-23(28)5)19-35(7,8)9/h10-18,20H,19H2,1-9H3
InChIKeyZDTLRVMMSKPYKC-UHFFFAOYSA-N
XLogP10.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.77
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
7-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-ylthieno[2,3-c]pyridine
CID 163485977
4-(5,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]furo[3,2-c]pyridine
CID 171746716
3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine
CID 170097551
7-(4-tert-butylnaphthalen-2-yl)-2-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699
15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164783128
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzothiophen-7-yl]thieno[2,3-c]pyridine
CID 171718311
7-(1,2-dimethyl-8-propan-2-ylthieno[2,3-b][1]benzothiol-6-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 170543760
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
1-(4-tert-butylnaphthalen-2-yl)-7-[4-(2,2-dimethylpropyl)-2-methylphenyl]-8-fluoro-[1]benzoselenolo[2,3-c]pyridine
CID 168736821
7-(3,5-dimethylphenyl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301174

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine?
The IUPAC name of 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) is 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine is Cc1cc2cc(-c3nccc4c(C)c(-c5ccc(CC(C)(C)C)cc5C)sc34)cc(C(C)C)c2cc1C.
What is the InChIKey of 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine?
The InChIKey is ZDTLRVMMSKPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NS/c1-20(2)30-18-27(17-26-15-21(3)22(4)16-31(26)30)32-34-29(12-13-36-32)24(6)33(37-34)28-11-10-25(14-23(28)5)19-35(7,8)9/h10-18,20H,19H2,1-9H3.
What are the key properties of 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine?
7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine has a molecular weight of 505.77 g/mol, XLogP of 10.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethyl-4-propan-2-ylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylthieno[2,3-c]pyridine is sourced from PubChem (CID 168837332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).