3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)

C293H300N26 — CID 161136537

About 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)

3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene) (PubChem CID 161136537) has the molecular formula C293H300N26 and a molecular weight of 4185.80 g/mol. Its IUPAC name is 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene).

Molecular Properties

• Compound Name: 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)
• PubChem CID: 161136537
• Molecular Formula: C293H300N26
• Molecular Weight: 4185.80 g/mol
• Exact Mass: 4182.43
• IUPAC Name: 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C)nc(C)n1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1ccncc1-2.c1ccc2c(c1)Cc1cnccc1-2.c1ccc2c(c1)Cc1ncccc1-2.c1ccc2c(c1)Cc1nccnc1-2.c1ccc2c(c1)Cc1ncncc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1ncncc21.c1cnc2c(c1)-c1cccnc1C2.c1cnc2c(c1)-c1ccncc1C2.c1cnc2c(c1)Cc1cccnc1-2.c1cnc2c(c1)Cc1ncccc1-2
• InChI: InChI=1S/2C18H12.C17H11N.2C16H10N2.2C13H10.6C12H9N.6C11H8N2.C6H9N3.19C2H6/c2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11;1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12;1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11;1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11;1-3-8-7-10-9(4-2-5-12-10)11(8)13-6-1;1-3-8-9-4-2-6-13-11(9)7-10(8)12-5-1;1-3-8-7-9-4-2-6-13-11(9)10(8)12-5-1;1-2-10-9-3-5-12-7-8(9)6-11(10)13-4-1;1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11;1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10;1-4-7-5(2)9-6(3)8-4;19*1-2/h2*1-12H;1-11H;2*1-10H;2*1-8H,9H2;4*1-7H,8H2;2*1-6,8H,7H2;3*1-6H,7H2;1-5,7H,6H2;1-4,6-7H,5H2;1-6H,7H2;1-3H3;19*1-2H3
• InChIKey: UMWJMDVOEHSLHW-UHFFFAOYSA-N
• XLogP: 77.72
• TPSA: 335.14 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 319
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4185.80
LogP ≤ 5	77.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)?

The IUPAC name of 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene) (CID 161136537) is 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene).

What is the SMILES notation for 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)?

The canonical SMILES for 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C)nc(C)n1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1cccnc1-2.c1ccc2c(c1)Cc1ccncc1-2.c1ccc2c(c1)Cc1cnccc1-2.c1ccc2c(c1)Cc1ncccc1-2.c1ccc2c(c1)Cc1nccnc1-2.c1ccc2c(c1)Cc1ncncc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ncccc21.c1ccc2c(c1)c1ccccc1c1nccnc21.c1ccc2c(c1)c1ccccc1c1ncncc21.c1cnc2c(c1)-c1cccnc1C2.c1cnc2c(c1)-c1ccncc1C2.c1cnc2c(c1)Cc1cccnc1-2.c1cnc2c(c1)Cc1ncccc1-2.

What is the InChIKey of 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)?

The InChIKey is UMWJMDVOEHSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12.C17H11N.2C16H10N2.2C13H10.6C12H9N.6C11H8N2.C6H9N3.19C2H6/c2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17;1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-17-10-18-16;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11;1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12;1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)11;1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11;1-3-8-7-10-9(4-2-5-12-10)11(8)13-6-1;1-3-8-9-4-2-6-13-11(9)7-10(8)12-5-1;1-3-8-7-9-4-2-6-13-11(9)10(8)12-5-1;1-2-10-9-3-5-12-7-8(9)6-11(10)13-4-1;1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11;1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10;1-4-7-5(2)9-6(3)8-4;19*1-2/h2*1-12H;1-11H;2*1-10H;2*1-8H,9H2;4*1-7H,8H2;2*1-6,8H,7H2;3*1-6H,7H2;1-5,7H,6H2;1-4,6-7H,5H2;1-6H,7H2;1-3H3;19*1-2H3.

What are the key properties of 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene)?

3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene) has a molecular weight of 4185.80 g/mol, XLogP of 77.72, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;ethane;bis(9H-fluorene);9H-indeno[1,2-b]pyrazine;tris(5H-indeno[1,2-b]pyridine);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;9H-indeno[2,1-c]pyridine;9H-indeno[2,1-d]pyrimidine;phenanthro[9,10-b]pyrazine;phenanthro[9,10-b]pyridine;phenanthro[9,10-d]pyrimidine;2,4,6-trimethyl-1,3,5-triazine;bis(triphenylene) is sourced from PubChem (CID 161136537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).