9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole

C135H78N12S6 — CID 163686605

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole (PubChem CID 163686605) has the molecular formula C135H78N12S6 and a molecular weight of 2060.59 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole.

Molecular Properties

• Compound Name: 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole
• PubChem CID: 163686605
• Molecular Formula: C135H78N12S6
• Molecular Weight: 2060.59 g/mol
• Exact Mass: 2058.48
• IUPAC Name: 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c4ccc4c5ccc(-n6c7ccccc7c7ccccc76)cc5sc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc5c(cc34)sc3cc(-n4c6ccccc6c6ccccc64)ccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc5c6ccc(-n7c8ccccc8c8ccccc87)cc6sc5c34)n2)cc1
• InChI: InChI=1S/3C45H26N4S2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-19-11-18-33-36-26-40-35(25-41(36)51-42(33)34)32-23-22-29(24-39(32)50-40)49-37-20-9-7-16-30(37)31-17-8-10-21-38(31)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-19-11-18-34-40-38(50-41(34)35)25-24-33-32-23-22-29(26-39(32)51-42(33)40)49-36-20-9-7-16-30(36)31-17-8-10-21-37(31)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)36-19-11-18-33-35-25-24-34-32-23-22-29(26-39(32)50-41(34)42(35)51-40(33)36)49-37-20-9-7-16-30(37)31-17-8-10-21-38(31)49/h3*1-26H
• InChIKey: JPKCQVZZQNUXGI-UHFFFAOYSA-N
• XLogP: 38.12
• TPSA: 130.80 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.59
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole?

The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole (CID 163686605) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole.

What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole?

The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c4ccc4c5ccc(-n6c7ccccc7c7ccccc76)cc5sc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc5c(cc34)sc3cc(-n4c6ccccc6c6ccccc64)ccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccc5c6ccc(-n7c8ccccc8c8ccccc87)cc6sc5c34)n2)cc1.

What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole?

The InChIKey is JPKCQVZZQNUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H26N4S2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)34-19-11-18-33-36-26-40-35(25-41(36)51-42(33)34)32-23-22-29(24-39(32)50-40)49-37-20-9-7-16-30(37)31-17-8-10-21-38(31)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)35-19-11-18-34-40-38(50-41(34)35)25-24-33-32-23-22-29(26-39(32)51-42(33)40)49-36-20-9-7-16-30(36)31-17-8-10-21-37(31)49;1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)36-19-11-18-33-35-25-24-34-32-23-22-29(26-39(32)50-41(34)42(35)51-40(33)36)49-37-20-9-7-16-30(37)31-17-8-10-21-38(31)49/h3*1-26H.

What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole?

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole has a molecular weight of 2060.59 g/mol, XLogP of 38.12, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole is sourced from PubChem (CID 163686605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).