12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

C72H50N2 — CID 144919780

About 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (PubChem CID 144919780) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
• PubChem CID: 144919780
• Molecular Formula: C72H50N2
• Molecular Weight: 943.21 g/mol
• Exact Mass: 942.40
• IUPAC Name: 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
• SMILES: Cn1c2cc3c(cc2c2cc4ccccc4cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.Cn1c2cc3ccccc3cc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C36H25N/c1-37-34-21-25-13-9-8-12-24(25)20-30(34)31-22-29-28-18-10-11-19-32(28)36(33(29)23-35(31)37,26-14-4-2-5-15-26)27-16-6-3-7-17-27;1-37-33-23-25-13-9-8-12-24(25)22-30(33)28-20-21-32-34(35(28)37)29-18-10-11-19-31(29)36(32,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2*2-23H,1H3
• InChIKey: ODMWNHAXIUSQKN-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.21
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The IUPAC name of 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (CID 144919780) is 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

What is the SMILES notation for 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The canonical SMILES for 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is Cn1c2cc3c(cc2c2cc4ccccc4cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.Cn1c2cc3ccccc3cc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1.

What is the InChIKey of 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

The InChIKey is ODMWNHAXIUSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H25N/c1-37-34-21-25-13-9-8-12-24(25)20-30(34)31-22-29-28-18-10-11-19-32(28)36(33(29)23-35(31)37,26-14-4-2-5-15-26)27-16-6-3-7-17-27;1-37-33-23-25-13-9-8-12-24(25)22-30(33)28-20-21-32-34(35(28)37)29-18-10-11-19-31(29)36(32,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2*2-23H,1H3.

What are the key properties of 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?

12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene has a molecular weight of 943.21 g/mol, XLogP of 17.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 144919780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).