4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine

C33H35N3OS2 — CID 155087968

IUPAC4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine
SMILESCC(C)(C)c1c(-c2cc3ncc(-c4cc5c(C(C)(C)C)ccnc5s4)c(C(C)(C)C)c3s2)cnc2occc12
InChIInChI=1S/C33H35N3OS2/c1-31(2,3)22-10-12-34-30-19(22)14-24(39-30)21-16-35-23-15-25(38-28(23)27(21)33(7,8)9)20-17-36-29-18(11-13-37-29)26(20)32(4,5)6/h10-17H,1-9H3
InChIKeySGSIYVJKYXAJNF-UHFFFAOYSA-N
MW553.80 g/mol
LogP10.27
Rot. Bonds2

About 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine

4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine (PubChem CID 155087968) has the molecular formula C33H35N3OS2 and a molecular weight of 553.80 g/mol. Its IUPAC name is 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine
PubChem CID155087968
Molecular FormulaC33H35N3OS2
Molecular Weight553.80 g/mol
Exact Mass553.22
IUPAC Name4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine
SMILESCC(C)(C)c1c(-c2cc3ncc(-c4cc5c(C(C)(C)C)ccnc5s4)c(C(C)(C)C)c3s2)cnc2occc12
InChIInChI=1S/C33H35N3OS2/c1-31(2,3)22-10-12-34-30-19(22)14-24(39-30)21-16-35-23-15-25(38-28(23)27(21)33(7,8)9)20-17-36-29-18(11-13-37-29)26(20)32(4,5)6/h10-17H,1-9H3
InChIKeySGSIYVJKYXAJNF-UHFFFAOYSA-N
XLogP10.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.80
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine?
The IUPAC name of 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine (CID 155087968) is 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine.
What is the SMILES notation for 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine?
The canonical SMILES for 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine is CC(C)(C)c1c(-c2cc3ncc(-c4cc5c(C(C)(C)C)ccnc5s4)c(C(C)(C)C)c3s2)cnc2occc12.
What is the InChIKey of 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine?
The InChIKey is SGSIYVJKYXAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3OS2/c1-31(2,3)22-10-12-34-30-19(22)14-24(39-30)21-16-35-23-15-25(38-28(23)27(21)33(7,8)9)20-17-36-29-18(11-13-37-29)26(20)32(4,5)6/h10-17H,1-9H3.
What are the key properties of 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine?
4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine has a molecular weight of 553.80 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[7-tert-butyl-6-(4-tert-butylthieno[2,3-b]pyridin-2-yl)thieno[3,2-b]pyridin-2-yl]furo[2,3-b]pyridine is sourced from PubChem (CID 155087968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).