18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

C48H28N4O — CID 126680193

About 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (PubChem CID 126680193) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
• PubChem CID: 126680193
• Molecular Formula: C48H28N4O
• Molecular Weight: 676.78 g/mol
• Exact Mass: 676.23
• IUPAC Name: 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc(-c2nc(-n3c4ccc5oc6ccccc6c5c4c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C48H28N4O/c1-2-13-30(14-3-1)45-35-17-6-9-19-38(35)49-48(50-45)52-40-26-27-42-44(36-18-8-11-21-41(36)53-42)43(40)37-25-24-34-33-16-7-10-20-39(33)51(46(34)47(37)52)32-23-22-29-12-4-5-15-31(29)28-32/h1-28H
• InChIKey: SDWVJOHHWCZGDH-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.78
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The IUPAC name of 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (CID 126680193) is 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2nc(-n3c4ccc5oc6ccccc6c5c4c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c43)nc3ccccc23)cc1.

What is the InChIKey of 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The InChIKey is SDWVJOHHWCZGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-13-30(14-3-1)45-35-17-6-9-19-38(35)49-48(50-45)52-40-26-27-42-44(36-18-8-11-21-41(36)53-42)43(40)37-25-24-34-33-16-7-10-20-39(33)51(46(34)47(37)52)32-23-22-29-12-4-5-15-31(29)28-32/h1-28H.

What are the key properties of 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene has a molecular weight of 676.78 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18-naphthalen-2-yl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 126680193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).