4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene

C54H37N5 — CID 140926890

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene (PubChem CID 140926890) has the molecular formula C54H37N5 and a molecular weight of 755.93 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene
• PubChem CID: 140926890
• Molecular Formula: C54H37N5
• Molecular Weight: 755.93 g/mol
• Exact Mass: 755.30
• IUPAC Name: 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene
• SMILES: CC1(C)c2cc3ccccc3cc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cc3c(cc21)c1c2ccccc2c2ccccc2c1n3-c1ccccc1
• InChI: InChI=1S/C54H37N5/c1-54(2)44-30-36-22-12-13-23-37(36)31-47(44)59(53-56-51(34-18-6-3-7-19-34)55-52(57-53)35-20-8-4-9-21-35)48-33-46-43(32-45(48)54)49-41-28-16-14-26-39(41)40-27-15-17-29-42(40)50(49)58(46)38-24-10-5-11-25-38/h3-33H,1-2H3
• InChIKey: ZGPOUEUYXAWDNJ-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.93
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene?

The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene (CID 140926890) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene.

What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene?

The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene is CC1(C)c2cc3ccccc3cc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cc3c(cc21)c1c2ccccc2c2ccccc2c1n3-c1ccccc1.

What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene?

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

What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene?

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene has a molecular weight of 755.93 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-33-phenyl-4,33-diazaoctacyclo[16.15.0.03,16.05,14.07,12.019,32.020,25.026,31]tritriaconta-1,3(16),5,7,9,11,13,17,19(32),20,22,24,26,28,30-pentadecaene is sourced from PubChem (CID 140926890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).