4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine

C131H131N13 — CID 162121504

About 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine

4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine (PubChem CID 162121504) has the molecular formula C131H131N13 and a molecular weight of 1887.58 g/mol. Its IUPAC name is 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine.

Molecular Properties

• Compound Name: 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine
• PubChem CID: 162121504
• Molecular Formula: C131H131N13
• Molecular Weight: 1887.58 g/mol
• Exact Mass: 1886.07
• IUPAC Name: 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine
• SMILES: Cc1cc2c(cn1)-c1cc(C)c(C)cc1C2.Cc1cc2c(nn1)-c1cc(C)c(C)cc1C2.Cc1ccc2c(c1)Cc1cc(C)c(C)nc1-2.Cc1ccc2c(c1)Cc1nc(C)c(C)cc1-2.Cc1ccc2c(n1)Cc1cc(C)c(C)cc1-2.Cc1cnc2c(c1)Cc1cc(C)c(C)cc1-2.Cc1cnc2c(c1)Cc1cc(C)c(C)nc1-2.Cc1cnc2c(n1)Cc1cc(C)c(C)cc1-2.Cc1ncc2c(n1)Cc1cc(C)c(C)cc1-2
• InChI: InChI=1S/5C15H15N.4C14H14N2/c1-9-4-12-7-13-6-11(3)16-8-15(13)14(12)5-10(9)2;1-9-4-13-7-12-5-10(2)11(3)6-14(12)15(13)16-8-9;1-9-6-12-8-15-13(5-4-11(3)16-15)14(12)7-10(9)2;1-9-4-5-14-12(6-9)8-13-7-10(2)11(3)16-15(13)14;1-9-4-5-13-12(6-9)8-15-14(13)7-10(2)11(3)16-15;1-8-4-11-6-14-13(7-15-10(3)16-14)12(11)5-9(8)2;1-8-4-11-6-13-14(12(11)5-9(8)2)15-7-10(3)16-13;1-8-4-11-7-12-6-10(3)15-16-14(12)13(11)5-9(8)2;1-8-4-11-6-12-5-9(2)10(3)16-14(12)13(11)15-7-8/h2*4-6,8H,7H2,1-3H3;3*4-7H,8H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3
• InChIKey: ZHLWPETVNUVVRJ-UHFFFAOYSA-N
• XLogP: 29.78
• TPSA: 167.57 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1887.58
LogP ≤ 5	29.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine?

The IUPAC name of 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine (CID 162121504) is 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine.

What is the SMILES notation for 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine?

The canonical SMILES for 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine is Cc1cc2c(cn1)-c1cc(C)c(C)cc1C2.Cc1cc2c(nn1)-c1cc(C)c(C)cc1C2.Cc1ccc2c(c1)Cc1cc(C)c(C)nc1-2.Cc1ccc2c(c1)Cc1nc(C)c(C)cc1-2.Cc1ccc2c(n1)Cc1cc(C)c(C)cc1-2.Cc1cnc2c(c1)Cc1cc(C)c(C)cc1-2.Cc1cnc2c(c1)Cc1cc(C)c(C)nc1-2.Cc1cnc2c(n1)Cc1cc(C)c(C)cc1-2.Cc1ncc2c(n1)Cc1cc(C)c(C)cc1-2.

What is the InChIKey of 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine?

The InChIKey is ZHLWPETVNUVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H15N.4C14H14N2/c1-9-4-12-7-13-6-11(3)16-8-15(13)14(12)5-10(9)2;1-9-4-13-7-12-5-10(2)11(3)6-14(12)15(13)16-8-9;1-9-6-12-8-15-13(5-4-11(3)16-15)14(12)7-10(9)2;1-9-4-5-14-12(6-9)8-13-7-10(2)11(3)16-15(13)14;1-9-4-5-13-12(6-9)8-15-14(13)7-10(2)11(3)16-15;1-8-4-11-6-14-13(7-15-10(3)16-14)12(11)5-9(8)2;1-8-4-11-6-13-14(12(11)5-9(8)2)15-7-10(3)16-13;1-8-4-11-7-12-6-10(3)15-16-14(12)13(11)5-9(8)2;1-8-4-11-6-12-5-9(2)10(3)16-14(12)13(11)15-7-8/h2*4-6,8H,7H2,1-3H3;3*4-7H,8H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3.

What are the key properties of 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine?

4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine has a molecular weight of 1887.58 g/mol, XLogP of 29.78, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,11-trimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,6,7-trimethyl-9H-indeno[1,2-b]pyrazine;2,3,7-trimethyl-5H-indeno[1,2-b]pyridine;2,3,7-trimethyl-9H-indeno[2,1-b]pyridine;2,6,7-trimethyl-9H-indeno[2,1-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-b]pyridine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridazine;3,7,8-trimethyl-5H-indeno[1,2-c]pyridine;2,6,7-trimethyl-9H-indeno[2,1-d]pyrimidine is sourced from PubChem (CID 162121504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).