23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C87H56BrN8- — CID 164988201

About 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 164988201) has the molecular formula C87H56BrN8- and a molecular weight of 1293.36 g/mol. Its IUPAC name is 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

• Compound Name: 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• PubChem CID: 164988201
• Molecular Formula: C87H56BrN8-
• Molecular Weight: 1293.36 g/mol
• Exact Mass: 1291.38
• IUPAC Name: 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• SMILES: Brc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc2c(c1)-c1cccc3ccc4[nH]c5cccc-2c5c4c13
• InChI: InChI=1S/C43H26N4.C22H13N.C21H14BrN3.CH3/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)34-20-9-10-23-35(34)47-36-24-12-22-33-31-19-8-7-18-30(31)32-21-11-17-27-25-26-37(47)40(38(27)32)39(33)36;1-2-7-15-14(6-1)16-8-3-5-13-11-12-19-22(20(13)16)21-17(15)9-4-10-18(21)23-19;22-18-14-8-7-13-17(18)21-24-19(15-9-3-1-4-10-15)23-20(25-21)16-11-5-2-6-12-16;/h1-26H;1-12,23H;1-14H;1H3/q;;;-1
• InChIKey: GLVOZSUWXKSCPU-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.36
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The IUPAC name of 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 164988201) is 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

What is the SMILES notation for 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The canonical SMILES for 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is Brc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.c1ccc2c(c1)-c1cccc3ccc4[nH]c5cccc-2c5c4c13.

What is the InChIKey of 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The InChIKey is GLVOZSUWXKSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4.C22H13N.C21H14BrN3.CH3/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)34-20-9-10-23-35(34)47-36-24-12-22-33-31-19-8-7-18-30(31)32-21-11-17-27-25-26-37(47)40(38(27)32)39(33)36;1-2-7-15-14(6-1)16-8-3-5-13-11-12-19-22(20(13)16)21-17(15)9-4-10-18(21)23-19;22-18-14-8-7-13-17(18)21-24-19(15-9-3-1-4-10-15)23-20(25-21)16-11-5-2-6-12-16;/h1-26H;1-12,23H;1-14H;1H3/q;;;-1.

What are the key properties of 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 1293.36 g/mol, XLogP of 22.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;2-(2-bromophenyl)-4,6-diphenyl-1,3,5-triazine;carbanide;23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 164988201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).