23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene

C152H94N14 — CID 157393527

About 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene

23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene (PubChem CID 157393527) has the molecular formula C152H94N14 and a molecular weight of 2116.52 g/mol. Its IUPAC name is 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene.

Molecular Properties

• Compound Name: 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene
• PubChem CID: 157393527
• Molecular Formula: C152H94N14
• Molecular Weight: 2116.52 g/mol
• Exact Mass: 2114.78
• IUPAC Name: 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1cnc(-n2cc3c4c(c5ccccc5cc42)-c2ccccc2-c2ccccc2-3)nc1
• InChI: InChI=1S/C45H28N4.C40H25N3.C39H24N4.C28H17N3/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)32-19-13-20-33(26-32)49-28-39-37-24-10-9-22-35(37)36-23-11-12-25-38(36)41-34-21-8-7-18-31(34)27-40(49)42(39)41;1-3-13-26(14-4-1)35-24-36(27-15-5-2-6-16-27)42-40(41-35)43-25-34-32-21-10-9-19-30(32)31-20-11-12-22-33(31)38-29-18-8-7-17-28(29)23-37(43)39(34)38;1-3-13-25(14-4-1)37-40-38(26-15-5-2-6-16-26)42-39(41-37)43-24-33-31-21-10-9-19-29(31)30-20-11-12-22-32(30)35-28-18-8-7-17-27(28)23-34(43)36(33)35;1-2-9-19-18(8-1)16-25-27-24(17-31(25)28-29-14-7-15-30-28)22-12-4-3-10-20(22)21-11-5-6-13-23(21)26(19)27/h1-28H;1-25H;1-24H;1-17H
• InChIKey: BMHKIOMVUSOWHJ-UHFFFAOYSA-N
• XLogP: 38.01
• TPSA: 148.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.52
LogP ≤ 5	38.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene?

The IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene (CID 157393527) is 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene.

What is the SMILES notation for 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene?

The canonical SMILES for 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1cnc(-n2cc3c4c(c5ccccc5cc42)-c2ccccc2-c2ccccc2-3)nc1.

What is the InChIKey of 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene?

The InChIKey is BMHKIOMVUSOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4.C40H25N3.C39H24N4.C28H17N3/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)32-19-13-20-33(26-32)49-28-39-37-24-10-9-22-35(37)36-23-11-12-25-38(36)41-34-21-8-7-18-31(34)27-40(49)42(39)41;1-3-13-26(14-4-1)35-24-36(27-15-5-2-6-16-27)42-40(41-35)43-25-34-32-21-10-9-19-30(32)31-20-11-12-22-33(31)38-29-18-8-7-17-28(29)23-37(43)39(34)38;1-3-13-25(14-4-1)37-40-38(26-15-5-2-6-16-26)42-39(41-37)43-24-33-31-21-10-9-19-29(31)30-20-11-12-22-32(30)35-28-18-8-7-17-27(28)23-34(43)36(33)35;1-2-9-19-18(8-1)16-25-27-24(17-31(25)28-29-14-7-15-30-28)22-12-4-3-10-20(22)21-11-5-6-13-23(21)26(19)27/h1-28H;1-25H;1-24H;1-17H.

What are the key properties of 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene?

23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene has a molecular weight of 2116.52 g/mol, XLogP of 38.01, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene;23-pyrimidin-2-yl-23-azahexacyclo[12.10.1.02,7.08,13.015,20.022,25]pentacosa-1(24),2,4,6,8,10,12,14(25),15,17,19,21-dodecaene is sourced from PubChem (CID 157393527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).