8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine

C64H54N4 — CID 59747283

About 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine

8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747283) has the molecular formula C64H54N4 and a molecular weight of 879.16 g/mol. Its IUPAC name is 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

• Compound Name: 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine
• PubChem CID: 59747283
• Molecular Formula: C64H54N4
• Molecular Weight: 879.16 g/mol
• Exact Mass: 878.43
• IUPAC Name: 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine
• SMILES: CCC1(CC)c2ccccc2-c2nc(-c3ccc4c(c3)-c3nc(-c5ccc(-c6ccc7c(c6)-c6nc(-c8ccc9c(c8)-c8ncccc8C9(C)C)ccc6C7(C)C)cc5)ccc3C4(C)C)ccc21
• InChI: InChI=1S/C64H54N4/c1-9-64(10-2)49-15-12-11-14-42(49)58-53(64)29-32-56(67-58)41-23-26-48-45(36-41)60-51(63(48,7)8)27-30-54(66-60)38-19-17-37(18-20-38)39-21-24-47-44(34-39)59-52(62(47,5)6)28-31-55(68-59)40-22-25-46-43(35-40)57-50(61(46,3)4)16-13-33-65-57/h11-36H,9-10H2,1-8H3
• InChIKey: TYQKLXHVOZJRRS-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.16
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The IUPAC name of 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747283) is 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

What is the SMILES notation for 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The canonical SMILES for 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CCC1(CC)c2ccccc2-c2nc(-c3ccc4c(c3)-c3nc(-c5ccc(-c6ccc7c(c6)-c6nc(-c8ccc9c(c8)-c8ncccc8C9(C)C)ccc6C7(C)C)cc5)ccc3C4(C)C)ccc21.

What is the InChIKey of 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

The InChIKey is TYQKLXHVOZJRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N4/c1-9-64(10-2)49-15-12-11-14-42(49)58-53(64)29-32-56(67-58)41-23-26-48-45(36-41)60-51(63(48,7)8)27-30-54(66-60)38-19-17-37(18-20-38)39-21-24-47-44(34-39)59-52(62(47,5)6)28-31-55(68-59)40-22-25-46-43(35-40)57-50(61(46,3)4)16-13-33-65-57/h11-36H,9-10H2,1-8H3.

What are the key properties of 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine?

8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 879.16 g/mol, XLogP of 15.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5,5-diethylindeno[1,2-b]pyridin-2-yl)-2-[4-[2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).