23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene

C157H105N11O3 — CID 161294064

About 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene

23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene (PubChem CID 161294064) has the molecular formula C157H105N11O3 and a molecular weight of 2193.64 g/mol. Its IUPAC name is 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
• PubChem CID: 161294064
• Molecular Formula: C157H105N11O3
• Molecular Weight: 2193.64 g/mol
• Exact Mass: 2191.84
• IUPAC Name: 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
• SMILES: CC1(C)c2cc3oc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C55H37N3O.C54H36N4O.C48H32N4O/c1-55(2)46-31-51-44(29-41(46)42-30-45-40-20-12-13-21-52(40)59-53(45)32-47(42)55)43-28-38(26-27-50(43)58(51)39-18-10-5-11-19-39)34-22-24-36(25-23-34)49-33-48(35-14-6-3-7-15-35)56-54(57-49)37-16-8-4-9-17-37;1-54(2)45-31-48-42(39-20-12-13-21-47(39)58(48)38-18-10-5-11-19-38)29-40(45)41-30-44-43-28-37(26-27-49(43)59-50(44)32-46(41)54)33-22-24-36(25-23-33)53-56-51(34-14-6-3-7-15-34)55-52(57-53)35-16-8-4-9-17-35;1-48(2)39-27-42-36(33-20-12-13-21-41(33)52(42)32-18-10-5-11-19-32)25-34(39)35-26-38-37-24-31(22-23-43(37)53-44(38)28-40(35)48)47-50-45(29-14-6-3-7-15-29)49-46(51-47)30-16-8-4-9-17-30/h3-33H,1-2H3;3-32H,1-2H3;3-28H,1-2H3
• InChIKey: VGSYGZXSOAFEIT-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 157.33 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.64
LogP ≤ 5	40.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The IUPAC name of 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene (CID 161294064) is 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3oc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The InChIKey is VGSYGZXSOAFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O.C54H36N4O.C48H32N4O/c1-55(2)46-31-51-44(29-41(46)42-30-45-40-20-12-13-21-52(40)59-53(45)32-47(42)55)43-28-38(26-27-50(43)58(51)39-18-10-5-11-19-39)34-22-24-36(25-23-34)49-33-48(35-14-6-3-7-15-35)56-54(57-49)37-16-8-4-9-17-37;1-54(2)45-31-48-42(39-20-12-13-21-47(39)58(48)38-18-10-5-11-19-38)29-40(45)41-30-44-43-28-37(26-27-49(43)59-50(44)32-46(41)54)33-22-24-36(25-23-33)53-56-51(34-14-6-3-7-15-34)55-52(57-53)35-16-8-4-9-17-35;1-48(2)39-27-42-36(33-20-12-13-21-41(33)52(42)32-18-10-5-11-19-32)25-34(39)35-26-38-37-24-31(22-23-43(37)53-44(38)28-40(35)48)47-50-45(29-14-6-3-7-15-29)49-46(51-47)30-16-8-4-9-17-30/h3-33H,1-2H3;3-32H,1-2H3;3-28H,1-2H3.

What are the key properties of 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene has a molecular weight of 2193.64 g/mol, XLogP of 40.47, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 161294064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).