24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C52H30N4O — CID 126679609

About 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679609) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679609
• Molecular Formula: C52H30N4O
• Molecular Weight: 726.84 g/mol
• Exact Mass: 726.24
• IUPAC Name: 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)nc3c2ccc2ccccc23)cc1
• InChI: InChI=1S/C52H30N4O/c1-2-15-33(16-3-1)48-40-26-25-32-14-5-7-19-35(32)49(40)54-52(53-48)56-44-29-27-37-36-20-9-11-24-45(36)57-51(37)47(44)39-28-30-43-46(50(39)56)38-21-8-10-22-42(38)55(43)41-23-12-17-31-13-4-6-18-34(31)41/h1-30H
• InChIKey: FNMXPOAVLBYXBQ-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.84
LogP ≤ 5	13.70
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-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679609) is 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)nc3c2ccc2ccccc23)cc1.

What is the InChIKey of 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is FNMXPOAVLBYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-15-33(16-3-1)48-40-26-25-32-14-5-7-19-35(32)49(40)54-52(53-48)56-44-29-27-37-36-20-9-11-24-45(36)57-51(37)47(44)39-28-30-43-46(50(39)56)38-21-8-10-22-42(38)55(43)41-23-12-17-31-13-4-6-18-34(31)41/h1-30H.

What are the key properties of 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 726.84 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).