2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C40H34N4O — CID 140742184

About 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 140742184) has the molecular formula C40H34N4O and a molecular weight of 586.74 g/mol. Its IUPAC name is 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 140742184
• Molecular Formula: C40H34N4O
• Molecular Weight: 586.74 g/mol
• Exact Mass: 586.27
• IUPAC Name: 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)cc(C(C)(C)c4ccc5c6ccccc6n(-c6ccccn6)c5c4)n3)cccc12
• InChI: InChI=1S/C40H34N4O/c1-24(2)26-21-33(32-13-10-12-30-31-18-16-25(3)42-39(31)45-38(30)32)43-36(22-26)40(4,5)27-17-19-29-28-11-6-7-14-34(28)44(35(29)23-27)37-15-8-9-20-41-37/h6-24H,1-5H3
• InChIKey: SSMWCPSHTNDMPL-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.74
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 140742184) is 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)cc(C(C)(C)c4ccc5c6ccccc6n(-c6ccccn6)c5c4)n3)cccc12.

What is the InChIKey of 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is SSMWCPSHTNDMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O/c1-24(2)26-21-33(32-13-10-12-30-31-18-16-25(3)42-39(31)45-38(30)32)43-36(22-26)40(4,5)27-17-19-29-28-11-6-7-14-34(28)44(35(29)23-27)37-15-8-9-20-41-37/h6-24H,1-5H3.

What are the key properties of 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 586.74 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).