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-(4,6-diphenylpyrimidin-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-[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

C131H82N10 — CID 160744339

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-(4,6-diphenylpyrimidin-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-[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-(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-(4,6-diphenylpyrimidin-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-[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 (PubChem CID 160744339) has the molecular formula C131H82N10 and a molecular weight of 1796.17 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-(4,6-diphenylpyrimidin-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-[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.

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-(4,6-diphenylpyrimidin-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-[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
• PubChem CID: 160744339
• Molecular Formula: C131H82N10
• Molecular Weight: 1796.17 g/mol
• Exact Mass: 1794.67
• 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-(4,6-diphenylpyrimidin-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-[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
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)c3)n2)cc1
• InChI: InChI=1S/C46H29N3.C45H28N4.C40H25N3/c1-3-13-30(14-4-1)41-28-42(31-15-5-2-6-16-31)48-46(47-41)32-23-25-34(26-24-32)49-29-40-38-21-10-9-19-36(38)37-20-11-12-22-39(37)44-35-18-8-7-17-33(35)27-43(49)45(40)44;1-3-14-29(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/h1-29H;1-28H;1-25H
• InChIKey: RVZREQHXBAJYPU-UHFFFAOYSA-N
• XLogP: 33.40
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1796.17
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(4,6-diphenylpyrimidin-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-[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?

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-(4,6-diphenylpyrimidin-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-[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 (CID 160744339) 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-(4,6-diphenylpyrimidin-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-[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.

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-(4,6-diphenylpyrimidin-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-[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?

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-(4,6-diphenylpyrimidin-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-[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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3cc4c5c(c6ccccc6cc53)-c3ccccc3-c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(c7ccccc7cc64)-c4ccccc4-c4ccccc4-5)c3)n2)cc1.

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-(4,6-diphenylpyrimidin-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-[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?

The InChIKey is RVZREQHXBAJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3.C45H28N4.C40H25N3/c1-3-13-30(14-4-1)41-28-42(31-15-5-2-6-16-31)48-46(47-41)32-23-25-34(26-24-32)49-29-40-38-21-10-9-19-36(38)37-20-11-12-22-39(37)44-35-18-8-7-17-33(35)27-43(49)45(40)44;1-3-14-29(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/h1-29H;1-28H;1-25H.

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-(4,6-diphenylpyrimidin-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-[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-(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-(4,6-diphenylpyrimidin-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-[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 has a molecular weight of 1796.17 g/mol, XLogP of 33.40, 11 rotatable bonds, 0 hydrogen bond donors, and 10 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-(4,6-diphenylpyrimidin-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-[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 is sourced from PubChem (CID 160744339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).