3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

C167H103N25 — CID 160713394

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (PubChem CID 160713394) has the molecular formula C167H103N25 and a molecular weight of 2459.84 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• PubChem CID: 160713394
• Molecular Formula: C167H103N25
• Molecular Weight: 2459.84 g/mol
• Exact Mass: 2457.88
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ccncc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7cnccc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7cncnc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ncccc7c6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/3C42H26N6.C41H25N7/c1-4-13-27(14-5-1)40-44-41(28-15-6-2-7-16-28)46-42(45-40)48-36-21-11-10-19-30(36)31-22-23-33-32-24-25-35-34(20-12-26-43-35)37(32)47(38(33)39(31)48)29-17-8-3-9-18-29;1-4-12-28(13-5-1)40-44-41(29-14-6-2-7-15-29)46-42(45-40)48-36-19-11-10-18-31(36)32-22-23-34-33-21-20-27-24-25-43-26-35(27)37(33)47(38(34)39(32)48)30-16-8-3-9-17-30;1-4-12-27(13-5-1)40-44-41(28-14-6-2-7-15-28)46-42(45-40)48-36-19-11-10-18-32(36)33-22-23-35-34-21-20-29-26-43-25-24-31(29)37(34)47(38(35)39(33)48)30-16-8-3-9-17-30;1-4-12-26(13-5-1)39-44-40(27-14-6-2-7-15-27)46-41(45-39)48-34-19-11-10-18-30(34)31-22-23-33-32-21-20-28-24-42-25-43-35(28)36(32)47(37(33)38(31)48)29-16-8-3-9-17-29/h3*1-26H;1-25H
• InChIKey: RSDPCBRZTILJQA-UHFFFAOYSA-N
• XLogP: 39.19
• TPSA: 258.57 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.84
LogP ≤ 5	39.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (CID 160713394) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ccncc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7cnccc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7cncnc7c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ncccc7c6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The InChIKey is RSDPCBRZTILJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H26N6.C41H25N7/c1-4-13-27(14-5-1)40-44-41(28-15-6-2-7-16-28)46-42(45-40)48-36-21-11-10-19-30(36)31-22-23-33-32-24-25-35-34(20-12-26-43-35)37(32)47(38(33)39(31)48)29-17-8-3-9-18-29;1-4-12-28(13-5-1)40-44-41(29-14-6-2-7-15-29)46-42(45-40)48-36-19-11-10-18-31(36)32-22-23-34-33-21-20-27-24-25-43-26-35(27)37(33)47(38(34)39(32)48)30-16-8-3-9-17-30;1-4-12-27(13-5-1)40-44-41(28-14-6-2-7-15-28)46-42(45-40)48-36-19-11-10-18-32(36)33-22-23-35-34-21-20-29-26-43-25-24-31(29)37(34)47(38(35)39(33)48)30-16-8-3-9-17-30;1-4-12-26(13-5-1)39-44-40(27-14-6-2-7-15-27)46-41(45-39)48-34-19-11-10-18-30(34)31-22-23-33-32-21-20-28-24-42-25-43-35(28)36(32)47(37(33)38(31)48)29-16-8-3-9-17-29/h3*1-26H;1-25H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene has a molecular weight of 2459.84 g/mol, XLogP of 39.19, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,18,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is sourced from PubChem (CID 160713394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).