15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

C153H93N15O3 — CID 157491717

About 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (PubChem CID 157491717) has the molecular formula C153H93N15O3 and a molecular weight of 2189.53 g/mol. Its IUPAC name is 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

Molecular Properties

• Compound Name: 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• PubChem CID: 157491717
• Molecular Formula: C153H93N15O3
• Molecular Weight: 2189.53 g/mol
• Exact Mass: 2187.76
• IUPAC Name: 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(ccc6c7ccccc7oc65)c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7ccccc7c6c5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7ccccc7c6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1
• InChI: InChI=1S/3C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-42-30-31-44-46(39-21-11-13-23-43(39)57-44)45(42)40-29-28-38-37-20-10-12-22-41(37)55(47(38)48(40)56)35-18-8-3-9-19-35;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-46-40(41-30-31-42-38-21-11-13-23-44(38)57-48(42)47(41)56)29-28-39-37-20-10-12-22-43(37)55(45(39)46)35-18-8-3-9-19-35;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-41-29-28-40-45(37-20-10-12-22-39(37)55(40)35-18-8-3-9-19-35)47(41)48-42(56)30-31-44-46(48)38-21-11-13-23-43(38)57-44/h3*1-31H
• InChIKey: BXIWEQQDICUMFH-UHFFFAOYSA-N
• XLogP: 38.90
• TPSA: 185.01 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.53
LogP ≤ 5	38.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The IUPAC name of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (CID 157491717) is 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

What is the SMILES notation for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The canonical SMILES for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(ccc6c7ccccc7oc65)c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7ccccc7c6c5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6oc7ccccc7c6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1.

What is the InChIKey of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The InChIKey is BXIWEQQDICUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-42-30-31-44-46(39-21-11-13-23-43(39)57-44)45(42)40-29-28-38-37-20-10-12-22-41(37)55(47(38)48(40)56)35-18-8-3-9-19-35;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-46-40(41-30-31-42-38-21-11-13-23-44(38)57-48(42)47(41)56)29-28-39-37-20-10-12-22-43(37)55(45(39)46)35-18-8-3-9-19-35;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)56-41-29-28-40-45(37-20-10-12-22-39(37)55(40)35-18-8-3-9-19-35)47(41)48-42(56)30-31-44-46(48)38-21-11-13-23-43(38)57-44/h3*1-31H.

What are the key properties of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene has a molecular weight of 2189.53 g/mol, XLogP of 38.90, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 157491717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).