26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C119H70N12 — CID 159633445

About 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 159633445) has the molecular formula C119H70N12 and a molecular weight of 1667.95 g/mol. Its IUPAC name is 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 159633445
• Molecular Formula: C119H70N12
• Molecular Weight: 1667.95 g/mol
• Exact Mass: 1666.58
• IUPAC Name: 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cccc6c7ccccc7n7c8ccccc8c8ccc4c(c65)c87)c3)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)cc3ncccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5ccccc5n5c6ccccc6c6ccc2c(c43)c65)cc1
• InChI: InChI=1S/C45H27N5.C38H22N4.C36H21N3/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-17-11-18-31(27-30)49-38-24-12-21-34-32-19-7-9-22-36(32)50-37-23-10-8-20-33(37)35-25-26-39(49)41(40(34)38)42(35)50;1-2-11-23(12-3-1)36-38(40-29-17-7-6-16-28(29)39-36)42-32-20-10-15-26-24-13-4-8-18-30(24)41-31-19-9-5-14-25(31)27-21-22-33(42)35(34(26)32)37(27)41;1-2-9-23(10-3-1)36-28-16-8-20-37-29(28)21-32(38-36)39-30-17-7-15-27-25-13-5-4-12-24(25)26-14-6-11-22-18-19-31(39)35(33(22)26)34(27)30/h1-27H;1-22H;1-21H
• InChIKey: MPKYGWDYVZNHRG-UHFFFAOYSA-N
• XLogP: 29.86
• TPSA: 113.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.95
LogP ≤ 5	29.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 159633445) is 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cccc6c7ccccc7n7c8ccccc8c8ccc4c(c65)c87)c3)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)cc3ncccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5ccccc5n5c6ccccc6c6ccc2c(c43)c65)cc1.

What is the InChIKey of 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is MPKYGWDYVZNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5.C38H22N4.C36H21N3/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-17-11-18-31(27-30)49-38-24-12-21-34-32-19-7-9-22-36(32)50-37-23-10-8-20-33(37)35-25-26-39(49)41(40(34)38)42(35)50;1-2-11-23(12-3-1)36-38(40-29-17-7-6-16-28(29)39-36)42-32-20-10-15-26-24-13-4-8-18-30(24)41-31-19-9-5-14-25(31)27-21-22-33(42)35(34(26)32)37(27)41;1-2-9-23(10-3-1)36-28-16-8-20-37-29(28)21-32(38-36)39-30-17-7-15-27-25-13-5-4-12-24(25)26-14-6-11-22-18-19-31(39)35(33(22)26)34(27)30/h1-27H;1-22H;1-21H.

What are the key properties of 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 1667.95 g/mol, XLogP of 29.86, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;23-(5-phenyl-1,6-naphthyridin-7-yl)-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;26-(3-phenylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 159633445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).