20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene

C185H119N13 — CID 157375859

About 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene

20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene (PubChem CID 157375859) has the molecular formula C185H119N13 and a molecular weight of 2524.08 g/mol. Its IUPAC name is 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene.

Molecular Properties

• Compound Name: 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene
• PubChem CID: 157375859
• Molecular Formula: C185H119N13
• Molecular Weight: 2524.08 g/mol
• Exact Mass: 2521.97
• IUPAC Name: 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5c3cccc5c3ccc5c(c6ccccc6n5-c5ccccc5)c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6n(-c6ccccc6)c5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)c3ccccc3n6-c3ccccc3)c2)cc1.c1ccc(N2c3ccccc3-n3c4ccc5c(c6ccccc6n5-c5cccc(-c6cccnc6)c5)c4c4cccc2c43)cc1
• InChI: InChI=1S/3C48H31N3.C41H26N4/c1-4-15-32(16-5-1)34-27-35(33-17-6-2-7-18-33)29-37(28-34)50-43-24-12-13-25-44(43)51-47-31-46-40(30-41(47)39-22-14-26-45(50)48(39)51)38-21-10-11-23-42(38)49(46)36-19-8-3-9-20-36;1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-37(30-34)50-42-24-12-13-25-43(42)51-47-38(22-14-26-45(47)50)39-27-28-44-46(48(39)51)40-21-10-11-23-41(40)49(44)36-19-8-3-9-20-36;1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-37(30-34)49-43-24-12-13-25-44(43)51-46-39(22-14-26-45(46)49)41-28-27-40-38-21-10-11-23-42(38)50(47(40)48(41)51)36-19-8-3-9-20-36;1-2-13-29(14-3-1)43-34-19-6-7-20-35(34)45-37-23-22-36-39(40(37)32-17-9-21-38(43)41(32)45)31-16-4-5-18-33(31)44(36)30-15-8-11-27(25-30)28-12-10-24-42-26-28/h3*1-31H;1-26H
• InChIKey: BKHYTNZJPJKCDX-UHFFFAOYSA-N
• XLogP: 49.72
• TPSA: 65.29 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2524.08
LogP ≤ 5	49.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene?

The IUPAC name of 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene (CID 157375859) is 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene.

What is the SMILES notation for 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene?

The canonical SMILES for 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5c3cccc5c3ccc5c(c6ccccc6n5-c5ccccc5)c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5c3cccc5c3ccc5c6ccccc6n(-c6ccccc6)c5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)c3ccccc3n6-c3ccccc3)c2)cc1.c1ccc(N2c3ccccc3-n3c4ccc5c(c6ccccc6n5-c5cccc(-c6cccnc6)c5)c4c4cccc2c43)cc1.

What is the InChIKey of 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene?

The InChIKey is BKHYTNZJPJKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H31N3.C41H26N4/c1-4-15-32(16-5-1)34-27-35(33-17-6-2-7-18-33)29-37(28-34)50-43-24-12-13-25-44(43)51-47-31-46-40(30-41(47)39-22-14-26-45(50)48(39)51)38-21-10-11-23-42(38)49(46)36-19-8-3-9-20-36;1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-37(30-34)50-42-24-12-13-25-43(42)51-47-38(22-14-26-45(47)50)39-27-28-44-46(48(39)51)40-21-10-11-23-41(40)49(44)36-19-8-3-9-20-36;1-4-15-32(16-5-1)34-29-35(33-17-6-2-7-18-33)31-37(30-34)49-43-24-12-13-25-44(43)51-46-39(22-14-26-45(46)49)41-28-27-40-38-21-10-11-23-42(38)50(47(40)48(41)51)36-19-8-3-9-20-36;1-2-13-29(14-3-1)43-34-19-6-7-20-35(34)45-37-23-22-36-39(40(37)32-17-9-21-38(43)41(32)45)31-16-4-5-18-33(31)44(36)30-15-8-11-27(25-30)28-12-10-24-42-26-28/h3*1-31H;1-26H.

What are the key properties of 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene?

20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene has a molecular weight of 2524.08 g/mol, XLogP of 49.72, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(3,5-diphenylphenyl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;20-(3,5-diphenylphenyl)-10-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;22-phenyl-10-(3-pyridin-3-ylphenyl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene is sourced from PubChem (CID 157375859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).