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

C78H48N10 — CID 139518172

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 139518172) has the molecular formula C78H48N10 and a molecular weight of 1125.31 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
• PubChem CID: 139518172
• Molecular Formula: C78H48N10
• Molecular Weight: 1125.31 g/mol
• Exact Mass: 1124.41
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8c9c%10ccccc%10n(-c%10ccccc%10)c9ccc87)n6)cc5)ccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
• InChI: InChI=1S/C78H48N10/c1-6-22-50(23-7-1)73-79-74(51-24-8-2-9-25-51)83-78(82-73)88-68-46-54(42-43-58(68)62-47-61-57-32-16-19-35-63(57)86(69(61)48-70(62)88)56-30-14-5-15-31-56)49-38-40-53(41-39-49)76-80-75(52-26-10-3-11-27-52)81-77(84-76)87-65-37-21-18-34-60(65)72-67(87)45-44-66-71(72)59-33-17-20-36-64(59)85(66)55-28-12-4-13-29-55/h1-48H
• InChIKey: QDKLYJWFFHQBPM-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.31
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (CID 139518172) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.

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

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8c9c%10ccccc%10n(-c%10ccccc%10)c9ccc87)n6)cc5)ccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.

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

The InChIKey is QDKLYJWFFHQBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N10/c1-6-22-50(23-7-1)73-79-74(51-24-8-2-9-25-51)83-78(82-73)88-68-46-54(42-43-58(68)62-47-61-57-32-16-19-35-63(57)86(69(61)48-70(62)88)56-30-14-5-15-31-56)49-38-40-53(41-39-49)76-80-75(52-26-10-3-11-27-52)81-77(84-76)87-65-37-21-18-34-60(65)72-67(87)45-44-66-71(72)59-33-17-20-36-64(59)85(66)55-28-12-4-13-29-55/h1-48H.

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 1125.31 g/mol, XLogP of 18.78, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-3-[4-[4-phenyl-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 139518172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).