7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile

C123H159N11O3S6 — CID 157352274

About 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile

7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 157352274) has the molecular formula C123H159N11O3S6 and a molecular weight of 2035.12 g/mol. Its IUPAC name is 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile
• PubChem CID: 157352274
• Molecular Formula: C123H159N11O3S6
• Molecular Weight: 2035.12 g/mol
• Exact Mass: 2033.11
• IUPAC Name: 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile
• SMILES: CC(C)(C)c1cc2c(C(C)(C)C)c(C#N)cnc2s1.CC(C)(C)c1cc2c(C(C)(C)C)ccnc2s1.CC(C)(C)c1cc2c(C(C)(C)C)ccnc2s1.CC(C)(C)c1cc2ncc(C#N)c(C(C)(C)C)c2s1.CC(C)(C)c1cc2nccc(C(C)(C)C)c2s1.CC(C)(C)c1cc2nccc(C(C)(C)C)c2s1.[2H]c1cc2c(C(C)C)ccnc2o1.[2H]c1cc2nccc(C(C)(C)C)c2o1.[2H]c1cc2nccc(C(C)C)c2o1
• InChI: InChI=1S/2C16H20N2S.4C15H21NS.C11H13NO.2C10H11NO/c1-15(2,3)12-7-11-14(19-12)13(16(4,5)6)10(8-17)9-18-11;1-15(2,3)12-7-11-13(16(4,5)6)10(8-17)9-18-14(11)19-12;2*1-14(2,3)11-7-8-16-13-10(11)9-12(17-13)15(4,5)6;2*1-14(2,3)10-7-8-16-11-9-12(15(4,5)6)17-13(10)11;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10/h2*7,9H,1-6H3;4*7-9H,1-6H3;4-7H,1-3H3;2*3-7H,1-2H3/i;;;;;;7D;2*6D
• InChIKey: BHRGDDHKTZURKO-WXHMRNKXSA-N
• XLogP: 38.12
• TPSA: 203.01 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 2
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.12
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile?

The IUPAC name of 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile (CID 157352274) is 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile.

What is the SMILES notation for 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile?

The canonical SMILES for 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile is CC(C)(C)c1cc2c(C(C)(C)C)c(C#N)cnc2s1.CC(C)(C)c1cc2c(C(C)(C)C)ccnc2s1.CC(C)(C)c1cc2c(C(C)(C)C)ccnc2s1.CC(C)(C)c1cc2ncc(C#N)c(C(C)(C)C)c2s1.CC(C)(C)c1cc2nccc(C(C)(C)C)c2s1.CC(C)(C)c1cc2nccc(C(C)(C)C)c2s1.[2H]c1cc2c(C(C)C)ccnc2o1.[2H]c1cc2nccc(C(C)(C)C)c2o1.[2H]c1cc2nccc(C(C)C)c2o1.

What is the InChIKey of 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile?

The InChIKey is BHRGDDHKTZURKO-WXHMRNKXSA-N. The full InChI is InChI=1S/2C16H20N2S.4C15H21NS.C11H13NO.2C10H11NO/c1-15(2,3)12-7-11-14(19-12)13(16(4,5)6)10(8-17)9-18-11;1-15(2,3)12-7-11-13(16(4,5)6)10(8-17)9-18-14(11)19-12;2*1-14(2,3)11-7-8-16-13-10(11)9-12(17-13)15(4,5)6;2*1-14(2,3)10-7-8-16-11-9-12(15(4,5)6)17-13(10)11;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10/h2*7,9H,1-6H3;4*7-9H,1-6H3;4-7H,1-3H3;2*3-7H,1-2H3/i;;;;;;7D;2*6D.

What are the key properties of 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile?

7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 2035.12 g/mol, XLogP of 38.12, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-2-deuteriofuro[3,2-b]pyridine;2-deuterio-4-propan-2-ylfuro[2,3-b]pyridine;2-deuterio-7-propan-2-ylfuro[3,2-b]pyridine;bis(2,4-ditert-butylthieno[2,3-b]pyridine);bis(2,7-ditert-butylthieno[3,2-b]pyridine);2,4-ditert-butylthieno[2,3-b]pyridine-5-carbonitrile;2,7-ditert-butylthieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 157352274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).