3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

C182H114N26 — CID 158914820

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 158914820) has the molecular formula C182H114N26 and a molecular weight of 2665.10 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• PubChem CID: 158914820
• Molecular Formula: C182H114N26
• Molecular Weight: 2665.10 g/mol
• Exact Mass: 2662.97
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• SMILES: c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c6cc7nccnc7cc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7cccnc7cc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7nc(-c8ccccc8)n(-c8ccccc8)c7cc6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/2C52H33N7.C42H26N6.C36H22N6/c1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-44-29-17-16-28-39(44)40-30-31-41-42-32-46-43(33-45(42)57(47(41)48(40)59)37-24-12-4-13-25-37)53-51(36-22-10-3-11-23-36)58(46)38-26-14-5-15-27-38;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-44-29-17-16-28-39(44)40-30-31-41-42-32-43-46(33-45(42)57(47(41)48(40)59)37-24-12-4-13-25-37)58(38-26-14-5-15-27-38)51(53-43)36-22-10-3-11-23-36;1-4-13-27(14-5-1)40-44-41(28-15-6-2-7-16-28)46-42(45-40)48-36-21-11-10-20-31(36)32-22-23-33-34-25-29-17-12-24-43-35(29)26-37(34)47(38(33)39(32)48)30-18-8-3-9-19-30;1-3-9-23(10-4-1)29-17-18-39-36(40-29)42-32-14-8-7-13-25(32)26-15-16-27-28-21-30-31(38-20-19-37-30)22-33(28)41(34(27)35(26)42)24-11-5-2-6-12-24/h2*1-33H;1-26H;1-22H
• InChIKey: JHCIATRZCUMYQM-UHFFFAOYSA-N
• XLogP: 43.04
• TPSA: 255.54 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.10
LogP ≤ 5	43.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 158914820) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c6cc7nccnc7cc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7cccnc7cc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7nc(-c8ccccc8)n(-c8ccccc8)c7cc6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The InChIKey is JHCIATRZCUMYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N7.C42H26N6.C36H22N6/c1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-44-29-17-16-28-39(44)40-30-31-41-42-32-46-43(33-45(42)57(47(41)48(40)59)37-24-12-4-13-25-37)53-51(36-22-10-3-11-23-36)58(46)38-26-14-5-15-27-38;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-44-29-17-16-28-39(44)40-30-31-41-42-32-43-46(33-45(42)57(47(41)48(40)59)37-24-12-4-13-25-37)58(38-26-14-5-15-27-38)51(53-43)36-22-10-3-11-23-36;1-4-13-27(14-5-1)40-44-41(28-15-6-2-7-16-28)46-42(45-40)48-36-21-11-10-20-31(36)32-22-23-33-34-25-29-17-12-24-43-35(29)26-37(34)47(38(33)39(32)48)30-18-8-3-9-19-30;1-3-9-23(10-4-1)29-17-18-39-36(40-29)42-32-14-8-7-13-25(32)26-15-16-27-28-21-30-31(38-20-19-37-30)22-33(28)41(34(27)35(26)42)24-11-5-2-6-12-24/h2*1-33H;1-26H;1-22H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 2665.10 g/mol, XLogP of 43.04, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]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)-17,18,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,17,19,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;24-phenyl-3-(4-phenylpyrimidin-2-yl)-3,17,20,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 158914820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).