4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine

C30H25NS2 — CID 171718273

IUPAC4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine
SMILESCc1sc2ccccc2c1-c1cc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2s1
InChIInChI=1S/C30H25NS2/c1-18-28(22-11-7-8-12-25(22)32-18)27-17-23-26(33-27)13-14-31-29(23)20-15-19-9-5-6-10-21(19)24(16-20)30(2,3)4/h5-17H,1-4H3
InChIKeyNCHNNSKRBDMISD-UHFFFAOYSA-N
MW463.67 g/mol
LogP9.60
Rot. Bonds2

About 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine

4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine (PubChem CID 171718273) has the molecular formula C30H25NS2 and a molecular weight of 463.67 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine
PubChem CID171718273
Molecular FormulaC30H25NS2
Molecular Weight463.67 g/mol
Exact Mass463.14
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine
SMILESCc1sc2ccccc2c1-c1cc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2s1
InChIInChI=1S/C30H25NS2/c1-18-28(22-11-7-8-12-25(22)32-18)27-17-23-26(33-27)13-14-31-29(23)20-15-19-9-5-6-10-21(19)24(16-20)30(2,3)4/h5-17H,1-4H3
InChIKeyNCHNNSKRBDMISD-UHFFFAOYSA-N
XLogP9.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine with MolForge

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Related Compounds

2-(1-benzothiophen-6-yl)-4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridine
CID 171718260
7-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[2,3-c]pyridine
CID 171718726
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
CID 171718083
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[3,2-c]pyridine
CID 171718710
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-6-ylthieno[3,2-c]pyridine
CID 171718675
4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzofuran-3-yl]thieno[3,2-c]pyridine
CID 171717527
5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
CID 171717980
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]thieno[2,3-c]pyridine
CID 171717762
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[3,2-c]pyridine
CID 171764358

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine (CID 171718273) is 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine is Cc1sc2ccccc2c1-c1cc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2s1.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine?
The InChIKey is NCHNNSKRBDMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NS2/c1-18-28(22-11-7-8-12-25(22)32-18)27-17-23-26(33-27)13-14-31-29(23)20-15-19-9-5-6-10-21(19)24(16-20)30(2,3)4/h5-17H,1-4H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine?
4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine has a molecular weight of 463.67 g/mol, XLogP of 9.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzothiophen-3-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 171718273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).