14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole

C96H72N16 — CID 160620108

About 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole

14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole (PubChem CID 160620108) has the molecular formula C96H72N16 and a molecular weight of 1449.74 g/mol. Its IUPAC name is 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole
• PubChem CID: 160620108
• Molecular Formula: C96H72N16
• Molecular Weight: 1449.74 g/mol
• Exact Mass: 1448.61
• IUPAC Name: 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ncncn1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ncncn3)c21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ncncn4)c3cc21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ncncn1
• InChI: InChI=1S/4C24H18N4/c1-24(2)18-9-5-3-8-17(18)21-19(24)12-11-16-15-7-4-6-10-20(15)28(22(16)21)23-26-13-25-14-27-23;1-24(2)19-9-5-3-7-15(19)17-11-18-16-8-4-6-10-21(16)28(22(18)12-20(17)24)23-26-13-25-14-27-23;1-24(2)18-9-5-3-7-15(18)16-11-12-20-21(22(16)24)17-8-4-6-10-19(17)28(20)23-26-13-25-14-27-23;1-24(2)17-9-5-3-7-15(17)21-18(24)11-12-20-22(21)16-8-4-6-10-19(16)28(20)23-26-13-25-14-27-23/h4*3-14H,1-2H3
• InChIKey: RGPDKPIUVVBJRX-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 174.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.74
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole?

The IUPAC name of 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole (CID 160620108) is 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole.

What is the SMILES notation for 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole?

The canonical SMILES for 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ncncn1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ncncn3)c21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ncncn4)c3cc21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ncncn1.

What is the InChIKey of 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole?

The InChIKey is RGPDKPIUVVBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H18N4/c1-24(2)18-9-5-3-8-17(18)21-19(24)12-11-16-15-7-4-6-10-20(15)28(22(16)21)23-26-13-25-14-27-23;1-24(2)19-9-5-3-7-15(19)17-11-18-16-8-4-6-10-21(16)28(22(18)12-20(17)24)23-26-13-25-14-27-23;1-24(2)18-9-5-3-7-15(18)16-11-12-20-21(22(16)24)17-8-4-6-10-19(17)28(20)23-26-13-25-14-27-23;1-24(2)17-9-5-3-7-15(17)21-18(24)11-12-20-22(21)16-8-4-6-10-19(16)28(20)23-26-13-25-14-27-23/h4*3-14H,1-2H3.

What are the key properties of 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole?

14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole has a molecular weight of 1449.74 g/mol, XLogP of 21.10, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole is sourced from PubChem (CID 160620108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).