9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole

C90H50N8S4 — CID 166980361

About 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole

9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole (PubChem CID 166980361) has the molecular formula C90H50N8S4 and a molecular weight of 1371.71 g/mol. Its IUPAC name is 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole
• PubChem CID: 166980361
• Molecular Formula: C90H50N8S4
• Molecular Weight: 1371.71 g/mol
• Exact Mass: 1370.30
• IUPAC Name: 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7sc8ccc9c(sc%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)c8c67)n5)cc4)c3)nc(-c3cccc4sc5c(ccc6c5sc5cccc(-n7c8ccccc8c8ccccc87)c56)c34)n2)cc1
• InChI: InChI=1S/C90H50N8S4/c1-3-20-52(21-4-1)85-91-87(95-90(94-85)65-31-17-39-75-80(65)81-76(99-75)49-48-62-78-70(36-18-40-73(78)100-82(62)81)97-66-32-11-7-26-57(66)58-27-8-12-33-67(58)97)54-44-42-51(43-45-54)55-24-15-25-56(50-55)88-92-86(53-22-5-2-6-23-53)93-89(96-88)64-30-16-38-72-77(64)61-46-47-63-79-71(37-19-41-74(79)102-84(63)83(61)101-72)98-68-34-13-9-28-59(68)60-29-10-14-35-69(60)98/h1-50H
• InChIKey: ZUQWIDJABVGKQM-UHFFFAOYSA-N
• XLogP: 25.39
• TPSA: 87.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.71
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole?

The IUPAC name of 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole (CID 166980361) is 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole.

What is the SMILES notation for 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole?

The canonical SMILES for 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7sc8ccc9c(sc%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)c8c67)n5)cc4)c3)nc(-c3cccc4sc5c(ccc6c5sc5cccc(-n7c8ccccc8c8ccccc87)c56)c34)n2)cc1.

What is the InChIKey of 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole?

The InChIKey is ZUQWIDJABVGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50N8S4/c1-3-20-52(21-4-1)85-91-87(95-90(94-85)65-31-17-39-75-80(65)81-76(99-75)49-48-62-78-70(36-18-40-73(78)100-82(62)81)97-66-32-11-7-26-57(66)58-27-8-12-33-67(58)97)54-44-42-51(43-45-54)55-24-15-25-56(50-55)88-92-86(53-22-5-2-6-23-53)93-89(96-88)64-30-16-38-72-77(64)61-46-47-63-79-71(37-19-41-74(79)102-84(63)83(61)101-72)98-68-34-13-9-28-59(68)60-29-10-14-35-69(60)98/h1-50H.

What are the key properties of 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole?

9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole has a molecular weight of 1371.71 g/mol, XLogP of 25.39, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-[3-[4-(15-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-15-yl]carbazole is sourced from PubChem (CID 166980361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).