21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C218H150N16 — CID 158288535

About 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 158288535) has the molecular formula C218H150N16 and a molecular weight of 2993.71 g/mol. Its IUPAC name is 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 158288535
• Molecular Formula: C218H150N16
• Molecular Weight: 2993.71 g/mol
• Exact Mass: 2991.22
• IUPAC Name: 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc3nc(-c4ccccc4)nc(-c4ccccc4)c3c1)c1c3ccccc3n(-c3ccccc3)c21
• InChI: InChI=1S/C56H39N3.C55H38N4.C54H37N5.C53H36N4/c1-56(2)45-27-15-12-24-42(45)52-53(56)55-51(50-43-25-13-16-28-48(43)58(54(50)52)40-22-10-5-11-23-40)44-26-14-17-29-49(44)59(55)41-32-30-38(31-33-41)47-35-39(36-18-6-3-7-19-36)34-46(57-47)37-20-8-4-9-21-37;1-55(2)43-27-15-12-24-40(43)50-51(55)53-49(48-41-25-13-16-28-46(41)58(52(48)50)38-22-10-5-11-23-38)42-26-14-17-29-47(42)59(53)39-32-30-36(31-33-39)45-34-44(35-18-6-3-7-19-35)56-54(57-45)37-20-8-4-9-21-37;1-54(2)42-27-15-12-24-39(42)47-48(54)50-46(45-40-25-13-16-28-43(40)58(49(45)47)37-22-10-5-11-23-37)41-26-14-17-29-44(41)59(50)38-32-30-36(31-33-38)53-56-51(34-18-6-3-7-19-34)55-52(57-53)35-20-8-4-9-21-35;1-53(2)41-27-15-12-24-37(41)47-48(53)51-46(45-38-25-13-16-28-43(38)56(50(45)47)35-22-10-5-11-23-35)39-26-14-17-29-44(39)57(51)36-30-31-42-40(32-36)49(33-18-6-3-7-19-33)55-52(54-42)34-20-8-4-9-21-34/h3-35H,1-2H3;3-34H,1-2H3;3-33H,1-2H3;3-32H,1-2H3
• InChIKey: GLBQCFXDKHZFQH-UHFFFAOYSA-N
• XLogP: 55.40
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2993.71
LogP ≤ 5	55.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 158288535) is 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccc3nc(-c4ccccc4)nc(-c4ccccc4)c3c1)c1c3ccccc3n(-c3ccccc3)c21.

What is the InChIKey of 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is GLBQCFXDKHZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3.C55H38N4.C54H37N5.C53H36N4/c1-56(2)45-27-15-12-24-42(45)52-53(56)55-51(50-43-25-13-16-28-48(43)58(54(50)52)40-22-10-5-11-23-40)44-26-14-17-29-49(44)59(55)41-32-30-38(31-33-41)47-35-39(36-18-6-3-7-19-36)34-46(57-47)37-20-8-4-9-21-37;1-55(2)43-27-15-12-24-40(43)50-51(55)53-49(48-41-25-13-16-28-46(41)58(52(48)50)38-22-10-5-11-23-38)42-26-14-17-29-47(42)59(53)39-32-30-36(31-33-39)45-34-44(35-18-6-3-7-19-35)56-54(57-45)37-20-8-4-9-21-37;1-54(2)42-27-15-12-24-39(42)47-48(54)50-46(45-40-25-13-16-28-43(40)58(49(45)47)37-22-10-5-11-23-37)41-26-14-17-29-44(41)59(50)38-32-30-36(31-33-38)53-56-51(34-18-6-3-7-19-34)55-52(57-53)35-20-8-4-9-21-35;1-53(2)41-27-15-12-24-37(41)47-48(53)51-46(45-38-25-13-16-28-43(38)56(50(45)47)35-22-10-5-11-23-35)39-26-14-17-29-44(39)57(51)36-30-31-42-40(32-36)49(33-18-6-3-7-19-33)55-52(54-42)34-20-8-4-9-21-34/h3-35H,1-2H3;3-34H,1-2H3;3-33H,1-2H3;3-32H,1-2H3.

What are the key properties of 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 2993.71 g/mol, XLogP of 55.40, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-(2,4-diphenylquinazolin-6-yl)-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-9-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 158288535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).