9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole

C160H108N20 — CID 165018234

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole (PubChem CID 165018234) has the molecular formula C160H108N20 and a molecular weight of 2310.76 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole
• PubChem CID: 165018234
• Molecular Formula: C160H108N20
• Molecular Weight: 2310.76 g/mol
• Exact Mass: 2308.91
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole
• SMILES: Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3ccc21.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/4C40H27N5/c1-44-33-21-11-8-18-28(33)31-25-37-32(24-36(31)44)29-19-9-12-22-34(29)45(37)35-23-13-10-20-30(35)40-42-38(26-14-4-2-5-15-26)41-39(43-40)27-16-6-3-7-17-27;1-44-31-21-11-8-18-28(31)36-34(44)24-25-35-37(36)29-19-9-12-22-32(29)45(35)33-23-13-10-20-30(33)40-42-38(26-14-4-2-5-15-26)41-39(43-40)27-16-6-3-7-17-27;1-44-34-21-10-8-19-30(34)32-25-37-33(24-36(32)44)31-20-9-11-22-35(31)45(37)29-18-12-17-28(23-29)40-42-38(26-13-4-2-5-14-26)41-39(43-40)27-15-6-3-7-16-27;1-44-34-18-10-8-16-30(34)32-25-37-33(24-36(32)44)31-17-9-11-19-35(31)45(37)29-22-20-28(21-23-29)40-42-38(26-12-4-2-5-13-26)41-39(43-40)27-14-6-3-7-15-27/h4*2-25H,1H3
• InChIKey: KTMCUGUSBMBRFM-UHFFFAOYSA-N
• XLogP: 38.46
• TPSA: 194.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.76
LogP ≤ 5	38.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole?

The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole (CID 165018234) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole.

What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole?

The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole is Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3ccc21.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole?

The InChIKey is KTMCUGUSBMBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C40H27N5/c1-44-33-21-11-8-18-28(33)31-25-37-32(24-36(31)44)29-19-9-12-22-34(29)45(37)35-23-13-10-20-30(35)40-42-38(26-14-4-2-5-15-26)41-39(43-40)27-16-6-3-7-17-27;1-44-31-21-11-8-18-28(31)36-34(44)24-25-35-37(36)29-19-9-12-22-32(29)45(35)33-23-13-10-20-30(33)40-42-38(26-14-4-2-5-15-26)41-39(43-40)27-16-6-3-7-17-27;1-44-34-21-10-8-19-30(34)32-25-37-33(24-36(32)44)31-20-9-11-22-35(31)45(37)29-18-12-17-28(23-29)40-42-38(26-13-4-2-5-14-26)41-39(43-40)27-15-6-3-7-16-27;1-44-34-18-10-8-16-30(34)32-25-37-33(24-36(32)44)31-17-9-11-19-35(31)45(37)29-22-20-28(21-23-29)40-42-38(26-12-4-2-5-13-26)41-39(43-40)27-14-6-3-7-15-27/h4*2-25H,1H3.

What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole?

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole has a molecular weight of 2310.76 g/mol, XLogP of 38.46, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylindolo[3,2-b]carbazole is sourced from PubChem (CID 165018234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).