18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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

C65H39N7O — CID 154993415

About 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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

18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 154993415) has the molecular formula C65H39N7O and a molecular weight of 934.07 g/mol. Its IUPAC name is 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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: 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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: 154993415
• Molecular Formula: C65H39N7O
• Molecular Weight: 934.07 g/mol
• Exact Mass: 933.32
• IUPAC Name: 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6c6c7ccccc7n(-c7ccccc7)c6c54)ccc3-c3nc(-c4ccccc4)c4ccccc4n3)n2)cc1
• InChI: InChI=1S/C65H39N7O/c1-5-21-40(22-6-1)58-46-29-13-17-33-51(46)66-64(67-58)45-38-37-44(39-50(45)65-69-62(41-23-7-2-8-24-41)68-63(70-65)42-25-9-3-10-26-42)72-53-35-19-15-31-48(53)57-60(72)59-55(56-49-32-16-20-36-54(49)73-61(56)57)47-30-14-18-34-52(47)71(59)43-27-11-4-12-28-43/h1-39H
• InChIKey: JNAUHXSKPDEPEG-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.07
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 154993415) is 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6c6c7ccccc7n(-c7ccccc7)c6c54)ccc3-c3nc(-c4ccccc4)c4ccccc4n3)n2)cc1.

What is the InChIKey of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 JNAUHXSKPDEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N7O/c1-5-21-40(22-6-1)58-46-29-13-17-33-51(46)66-64(67-58)45-38-37-44(39-50(45)65-69-62(41-23-7-2-8-24-41)68-63(70-65)42-25-9-3-10-26-42)72-53-35-19-15-31-48(53)57-60(72)59-55(56-49-32-16-20-36-54(49)73-61(56)57)47-30-14-18-34-52(47)71(59)43-27-11-4-12-28-43/h1-39H.

What are the key properties of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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?

18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 934.07 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-21-phenyl-9-oxa-18,21-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 154993415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).