11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C200H130N20 — CID 158498999

About 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 158498999) has the molecular formula C200H130N20 and a molecular weight of 2813.38 g/mol. Its IUPAC name is 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• PubChem CID: 158498999
• Molecular Formula: C200H130N20
• Molecular Weight: 2813.38 g/mol
• Exact Mass: 2811.08
• IUPAC Name: 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccc7ccccc7c6-c6ccccc6-n6c5cc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccc7ccccc7c6-n6c5cc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5cc5c7ccccc7ccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5cc5ccccc56)cc4)cc3)n2)cc1
• InChI: InChI=1S/3C51H33N5.C47H31N5/c1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-41(31-28-35)55-46-22-12-10-20-43(46)44-32-29-36-13-7-9-19-42(36)48(44)56-45-21-11-8-18-40(45)33-47(55)56;1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-41(31-28-35)55-46-32-29-36-13-7-9-19-42(36)48(46)43-20-10-12-22-45(43)56-44-21-11-8-18-40(44)33-47(55)56;1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-40(31-28-35)55-45-21-11-9-19-42(45)43-20-10-12-22-46(43)56-47-32-29-36-13-7-8-18-41(36)44(47)33-48(55)56;1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)36-25-23-32(24-26-36)33-27-29-38(30-28-33)51-42-21-11-8-18-39(42)40-19-9-12-22-43(40)52-41-20-10-7-17-37(41)31-44(51)52/h3*1-33H;1-31H
• InChIKey: HJQQPGAXKPFTKK-UHFFFAOYSA-N
• XLogP: 51.19
• TPSA: 187.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2813.38
LogP ≤ 5	51.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The IUPAC name of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 158498999) is 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

What is the SMILES notation for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The canonical SMILES for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccc7ccccc7c6-c6ccccc6-n6c5cc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccc7ccccc7c6-n6c5cc5ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5cc5c7ccccc7ccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6ccccc6-n6c5cc5ccccc56)cc4)cc3)n2)cc1.

What is the InChIKey of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The InChIKey is HJQQPGAXKPFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H33N5.C47H31N5/c1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-41(31-28-35)55-46-22-12-10-20-43(46)44-32-29-36-13-7-9-19-42(36)48(44)56-45-21-11-8-18-40(45)33-47(55)56;1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-41(31-28-35)55-46-32-29-36-13-7-9-19-42(36)48(46)43-20-10-12-22-45(43)56-44-21-11-8-18-40(44)33-47(55)56;1-3-14-37(15-4-1)49-52-50(38-16-5-2-6-17-38)54-51(53-49)39-25-23-34(24-26-39)35-27-30-40(31-28-35)55-45-21-11-9-19-42(45)43-20-10-12-22-46(43)56-47-32-29-36-13-7-8-18-41(36)44(47)33-48(55)56;1-3-13-34(14-4-1)45-48-46(35-15-5-2-6-16-35)50-47(49-45)36-25-23-32(24-26-36)33-27-29-38(30-28-33)51-42-21-11-8-18-39(42)40-19-9-12-22-43(40)52-41-20-10-7-17-37(41)31-44(51)52/h3*1-33H;1-31H.

What are the key properties of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 2813.38 g/mol, XLogP of 51.19, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 158498999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).