5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene

C41H36N4 — CID 66596627

About 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene

5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene (PubChem CID 66596627) has the molecular formula C41H36N4 and a molecular weight of 584.77 g/mol. Its IUPAC name is 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene.

Molecular Properties

• Compound Name: 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene
• PubChem CID: 66596627
• Molecular Formula: C41H36N4
• Molecular Weight: 584.77 g/mol
• Exact Mass: 584.29
• IUPAC Name: 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene
• SMILES: CC1(C)C2=C(N=CCC2)c2ncc(-c3ccc4c(c3)-c3nc(-c5ccc6c(n5)-c5ccccc5C6(C)C)ccc3C4(C)C)cc21
• InChI: InChI=1S/C41H36N4/c1-39(2)27-11-8-7-10-25(27)35-30(39)15-17-33(44-35)34-18-16-31-36(45-34)26-20-23(13-14-28(26)40(31,3)4)24-21-32-38(43-22-24)37-29(41(32,5)6)12-9-19-42-37/h7-8,10-11,13-22H,9,12H2,1-6H3
• InChIKey: JMQDCNZYKOVYIE-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 51.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.77
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene?

The IUPAC name of 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene (CID 66596627) is 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene.

What is the SMILES notation for 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene?

The canonical SMILES for 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene is CC1(C)C2=C(N=CCC2)c2ncc(-c3ccc4c(c3)-c3nc(-c5ccc6c(n5)-c5ccccc5C6(C)C)ccc3C4(C)C)cc21.

What is the InChIKey of 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene?

The InChIKey is JMQDCNZYKOVYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4/c1-39(2)27-11-8-7-10-25(27)35-30(39)15-17-33(44-35)34-18-16-31-36(45-34)26-20-23(13-14-28(26)40(31,3)4)24-21-32-38(43-22-24)37-29(41(32,5)6)12-9-19-42-37/h7-8,10-11,13-22H,9,12H2,1-6H3.

What are the key properties of 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene?

5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene has a molecular weight of 584.77 g/mol, XLogP of 9.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-8-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaene is sourced from PubChem (CID 66596627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).