24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C48H28N4O — CID 126680167

About 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 126680167) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• PubChem CID: 126680167
• Molecular Formula: C48H28N4O
• Molecular Weight: 676.78 g/mol
• Exact Mass: 676.23
• IUPAC Name: 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-n3c4c(ccc5oc6ccccc6c54)c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/C48H28N4O/c1-3-14-30(15-4-1)45-42-32-18-8-7-13-29(32)23-26-37(42)49-48(50-45)52-46-33(34-25-28-41-44(47(34)52)36-20-10-12-22-40(36)53-41)24-27-39-43(46)35-19-9-11-21-38(35)51(39)31-16-5-2-6-17-31/h1-28H
• InChIKey: LGROYCLTLNOAOF-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

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 126680167) is 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-n3c4c(ccc5oc6ccccc6c54)c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

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

What are the key properties of 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-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 24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126680167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).