21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

C152H108N4 — CID 158294101

About 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (PubChem CID 158294101) has the molecular formula C152H108N4 and a molecular weight of 1990.56 g/mol. Its IUPAC name is 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

Molecular Properties

• Compound Name: 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• PubChem CID: 158294101
• Molecular Formula: C152H108N4
• Molecular Weight: 1990.56 g/mol
• Exact Mass: 1988.86
• IUPAC Name: 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3-c3ccccc3-c3cccc1c32.c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)cc4c2N3c2ccccc2-c2ccccc2-4)cc1.c1ccc(C2(c3ccccc3)c3ccccc3N3c4ccccc4-c4ccccc4-c4cccc2c43)cc1
• InChI: InChI=1S/C49H33N.C39H29N.C37H25N.C27H21N/c1-5-17-34(18-6-1)36-29-30-47-44(32-36)49(38-21-9-3-10-22-38,39-23-11-4-12-24-39)45-33-37(35-19-7-2-8-20-35)31-43-41-26-14-13-25-40(41)42-27-15-16-28-46(42)50(47)48(43)45;1-39(2)34-24-28(26-13-5-3-6-14-26)21-22-37(34)40-36-20-12-11-19-32(36)30-17-9-10-18-31(30)33-23-29(25-35(39)38(33)40)27-15-7-4-8-16-27;1-3-14-26(15-4-1)37(27-16-5-2-6-17-27)32-22-10-12-25-35(32)38-34-24-11-9-20-30(34)28-18-7-8-19-29(28)31-21-13-23-33(37)36(31)38;1-27(2)22-14-6-8-17-25(22)28-24-16-7-5-12-20(24)18-10-3-4-11-19(18)21-13-9-15-23(27)26(21)28/h1-33H;3-25H,1-2H3;1-25H;3-17H,1-2H3
• InChIKey: GLRVPHHJAONBTK-UHFFFAOYSA-N
• XLogP: 40.55
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1990.56
LogP ≤ 5	40.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The IUPAC name of 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (CID 158294101) is 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

What is the SMILES notation for 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The canonical SMILES for 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc1c32.CC1(C)c2ccccc2N2c3ccccc3-c3ccccc3-c3cccc1c32.c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)cc4c2N3c2ccccc2-c2ccccc2-4)cc1.c1ccc(C2(c3ccccc3)c3ccccc3N3c4ccccc4-c4ccccc4-c4cccc2c43)cc1.

What is the InChIKey of 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

The InChIKey is GLRVPHHJAONBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N.C39H29N.C37H25N.C27H21N/c1-5-17-34(18-6-1)36-29-30-47-44(32-36)49(38-21-9-3-10-22-38,39-23-11-4-12-24-39)45-33-37(35-19-7-2-8-20-35)31-43-41-26-14-13-25-40(41)42-27-15-16-28-46(42)50(47)48(43)45;1-39(2)34-24-28(26-13-5-3-6-14-26)21-22-37(34)40-36-20-12-11-19-32(36)30-17-9-10-18-31(30)33-23-29(25-35(39)38(33)40)27-15-7-4-8-16-27;1-3-14-26(15-4-1)37(27-16-5-2-6-17-27)32-22-10-12-25-35(32)38-34-24-11-9-20-30(34)28-18-7-8-19-29(28)31-21-13-23-33(37)36(31)38;1-27(2)22-14-6-8-17-25(22)28-24-16-7-5-12-20(24)18-10-3-4-11-19(18)21-13-9-15-23(27)26(21)28/h1-33H;3-25H,1-2H3;1-25H;3-17H,1-2H3.

What are the key properties of 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?

21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene has a molecular weight of 1990.56 g/mol, XLogP of 40.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21,21-dimethyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;18,21,21,24-tetraphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is sourced from PubChem (CID 158294101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).