5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine

C30H35NS — CID 155629261

IUPAC5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
SMILESCc1cc(-c2ccc3sc(-c4c(C(C)C)cccc4C(C)C)cc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H35NS/c1-18(2)23-10-9-11-24(19(3)4)29(23)28-17-26-27(32-28)13-12-25(31-26)21-14-20(5)15-22(16-21)30(6,7)8/h9-19H,1-8H3
InChIKeySJKQSFWOQGKJSD-UHFFFAOYSA-N
MW441.68 g/mol
LogP9.48
Rot. Bonds4

About 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine

5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine (PubChem CID 155629261) has the molecular formula C30H35NS and a molecular weight of 441.68 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
PubChem CID155629261
Molecular FormulaC30H35NS
Molecular Weight441.68 g/mol
Exact Mass441.25
IUPAC Name5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
SMILESCc1cc(-c2ccc3sc(-c4c(C(C)C)cccc4C(C)C)cc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H35NS/c1-18(2)23-10-9-11-24(19(3)4)29(23)28-17-26-27(32-28)13-12-25(31-26)21-14-20(5)15-22(16-21)30(6,7)8/h9-19H,1-8H3
InChIKeySJKQSFWOQGKJSD-UHFFFAOYSA-N
XLogP9.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.68
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine with MolForge

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Related Compounds

5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
CID 155628986
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3-phenylphenyl)thieno[3,2-b]pyridine
CID 155628498
5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
CID 155629233
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
5-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626713
6-(3-tert-butyl-5-methylphenyl)-2-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 155626487
4-(3-tert-butyl-5-methylphenyl)-2,10-di(propan-2-yl)benzo[h]quinazoline
CID 162693126
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 155626452
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine?
The IUPAC name of 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine (CID 155629261) is 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine.
What is the SMILES notation for 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine?
The canonical SMILES for 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine is Cc1cc(-c2ccc3sc(-c4c(C(C)C)cccc4C(C)C)cc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine?
The InChIKey is SJKQSFWOQGKJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NS/c1-18(2)23-10-9-11-24(19(3)4)29(23)28-17-26-27(32-28)13-12-25(31-26)21-14-20(5)15-22(16-21)30(6,7)8/h9-19H,1-8H3.
What are the key properties of 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine?
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine has a molecular weight of 441.68 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine is sourced from PubChem (CID 155629261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).