9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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

C74H49N9 — CID 129209862

About 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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

9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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 (PubChem CID 129209862) has the molecular formula C74H49N9 and a molecular weight of 1064.27 g/mol. Its IUPAC name is 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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.

Molecular Properties

• Compound Name: 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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
• PubChem CID: 129209862
• Molecular Formula: C74H49N9
• Molecular Weight: 1064.27 g/mol
• Exact Mass: 1063.41
• IUPAC Name: 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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
• SMILES: CC1C=Cc2c(c3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8ccc76)c5)c4cc3n2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C1
• InChI: InChI=1S/C74H49N9/c1-46-37-38-64-56(41-46)58-43-57-53-31-14-17-34-61(53)81(67(57)45-68(58)83(64)73-75-59(47-21-6-2-7-22-47)44-60(76-73)48-23-8-3-9-24-48)52-30-20-29-51(42-52)80-62-35-18-15-32-54(62)69-65(80)39-40-66-70(69)55-33-16-19-36-63(55)82(66)74-78-71(49-25-10-4-11-26-49)77-72(79-74)50-27-12-5-13-28-50/h2-40,42-46H,41H2,1H3
• InChIKey: JFOGPBJNRQRENX-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.27
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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?

The IUPAC name of 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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 (CID 129209862) is 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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.

What is the SMILES notation for 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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?

The canonical SMILES for 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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 is CC1C=Cc2c(c3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8ccc76)c5)c4cc3n2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C1.

What is the InChIKey of 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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?

The InChIKey is JFOGPBJNRQRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N9/c1-46-37-38-64-56(41-46)58-43-57-53-31-14-17-34-61(53)81(67(57)45-68(58)83(64)73-75-59(47-21-6-2-7-22-47)44-60(76-73)48-23-8-3-9-24-48)52-30-20-29-51(42-52)80-62-35-18-15-32-54(62)69-65(80)39-40-66-70(69)55-33-16-19-36-63(55)82(66)74-78-71(49-25-10-4-11-26-49)77-72(79-74)50-27-12-5-13-28-50/h2-40,42-46H,41H2,1H3.

What are the key properties of 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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?

9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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 has a molecular weight of 1064.27 g/mol, XLogP of 17.77, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-methyl-1,2-dihydroindolo[2,3-b]carbazol-7-yl]phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-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 is sourced from PubChem (CID 129209862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).