23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene

C67H53N3 — CID 164527952

About 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene

23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene (PubChem CID 164527952) has the molecular formula C67H53N3 and a molecular weight of 900.18 g/mol. Its IUPAC name is 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene.

Molecular Properties

• Compound Name: 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene
• PubChem CID: 164527952
• Molecular Formula: C67H53N3
• Molecular Weight: 900.18 g/mol
• Exact Mass: 899.42
• IUPAC Name: 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene
• SMILES: Cc1ccccc1C1(C)Cc2ccccc2Cc2ncc3c(c21)c1cc(-c2c(-c4ccccc4)cc(-c4ccccc4)cc2-c2ccccc2)cc2c4c5c(ncc4n3c21)C1CC2CC3CC5CC23C1
• InChI: InChI=1S/C67H53N3/c1-39-16-12-15-25-55(39)66(2)34-44-24-14-13-23-43(44)32-56-63(66)62-54-31-46(59-51(41-19-8-4-9-20-41)28-45(40-17-6-3-7-18-40)29-52(59)42-21-10-5-11-22-42)30-53-61-57(70(65(53)54)58(62)37-68-56)38-69-64-48-27-50-33-49-26-47(60(61)64)35-67(49,50)36-48/h3-25,28-31,37-38,47-50H,26-27,32-36H2,1-2H3
• InChIKey: JJNJGFSXZVPQJY-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.18
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene?

The IUPAC name of 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene (CID 164527952) is 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene.

What is the SMILES notation for 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene?

The canonical SMILES for 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene is Cc1ccccc1C1(C)Cc2ccccc2Cc2ncc3c(c21)c1cc(-c2c(-c4ccccc4)cc(-c4ccccc4)cc2-c2ccccc2)cc2c4c5c(ncc4n3c21)C1CC2CC3CC5CC23C1.

What is the InChIKey of 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene?

The InChIKey is JJNJGFSXZVPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N3/c1-39-16-12-15-25-55(39)66(2)34-44-24-14-13-23-43(44)32-56-63(66)62-54-31-46(59-51(41-19-8-4-9-20-41)28-45(40-17-6-3-7-18-40)29-52(59)42-21-10-5-11-22-42)30-53-61-57(70(65(53)54)58(62)37-68-56)38-69-64-48-27-50-33-49-26-47(60(61)64)35-67(49,50)36-48/h3-25,28-31,37-38,47-50H,26-27,32-36H2,1-2H3.

What are the key properties of 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene?

23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene has a molecular weight of 900.18 g/mol, XLogP of 16.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 23-methyl-23-(2-methylphenyl)-18-(2,4,6-triphenylphenyl)-1,4,33-triazaundecacyclo[18.15.1.16,9.18,13.02,15.05,14.08,11.016,36.021,35.022,32.025,30]octatriaconta-2,4,14,16,18,20(36),21,25,27,29,32,34-dodecaene is sourced from PubChem (CID 164527952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).