18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C156H96N12O3 — CID 157328924

About 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 157328924) has the molecular formula C156H96N12O3 and a molecular weight of 2186.56 g/mol. Its IUPAC name is 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• PubChem CID: 157328924
• Molecular Formula: C156H96N12O3
• Molecular Weight: 2186.56 g/mol
• Exact Mass: 2184.77
• IUPAC Name: 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1
• InChI: InChI=1S/C53H33N3O.C52H32N4O.C51H31N5O/c1-4-16-34(17-5-1)37-32-43(35-18-6-2-7-19-35)54-44(33-37)36-28-30-39(31-29-36)56-46-26-14-11-23-41(46)49-51(56)48-40-22-10-13-25-45(40)55(38-20-8-3-9-21-38)52(48)50-42-24-12-15-27-47(42)57-53(49)50;1-4-16-33(17-5-1)41-32-42(54-52(53-41)35-18-6-2-7-19-35)34-28-30-37(31-29-34)56-44-26-14-11-23-39(44)47-49(56)46-38-22-10-13-25-43(38)55(36-20-8-3-9-21-36)50(46)48-40-24-12-15-27-45(40)57-51(47)48;1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)34-28-30-36(31-29-34)56-41-26-14-11-23-38(41)44-46(56)43-37-22-10-13-25-40(37)55(35-20-8-3-9-21-35)47(43)45-39-24-12-15-27-42(39)57-48(44)45/h1-33H;1-32H;1-31H
• InChIKey: BFBCEZKGEONCKP-UHFFFAOYSA-N
• XLogP: 40.71
• TPSA: 146.34 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.56
LogP ≤ 5	40.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The IUPAC name of 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 157328924) is 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

What is the SMILES notation for 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The canonical SMILES for 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.

What is the InChIKey of 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

The InChIKey is BFBCEZKGEONCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O.C52H32N4O.C51H31N5O/c1-4-16-34(17-5-1)37-32-43(35-18-6-2-7-19-35)54-44(33-37)36-28-30-39(31-29-36)56-46-26-14-11-23-41(46)49-51(56)48-40-22-10-13-25-45(40)55(38-20-8-3-9-21-38)52(48)50-42-24-12-15-27-47(42)57-53(49)50;1-4-16-33(17-5-1)41-32-42(54-52(53-41)35-18-6-2-7-19-35)34-28-30-37(31-29-34)56-44-26-14-11-23-39(44)47-49(56)46-38-22-10-13-25-43(38)55(36-20-8-3-9-21-36)50(46)48-40-24-12-15-27-45(40)57-51(47)48;1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)34-28-30-36(31-29-34)56-41-26-14-11-23-38(41)44-46(56)43-37-22-10-13-25-40(37)55(35-20-8-3-9-21-35)47(43)45-39-24-12-15-27-42(39)57-48(44)45/h1-33H;1-32H;1-31H.

What are the key properties of 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?

18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 2186.56 g/mol, XLogP of 40.71, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 157328924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).