15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

C52H30N4O — CID 140957425

About 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 140957425) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
• PubChem CID: 140957425
• Molecular Formula: C52H30N4O
• Molecular Weight: 726.84 g/mol
• Exact Mass: 726.24
• IUPAC Name: 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc2cc(-c3nc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccc8ccccc8c7)c6c54)nc4ccccc34)ccc2c1
• InChI: InChI=1S/C52H30N4O/c1-3-13-33-29-35(22-21-31(33)11-1)48-41-17-5-8-18-43(41)53-52(54-48)56-44-19-9-6-15-37(44)39-25-26-42-47-45(28-27-40-38-16-7-10-20-46(38)57-51(40)47)55(50(42)49(39)56)36-24-23-32-12-2-4-14-34(32)30-36/h1-30H
• InChIKey: SCLDGMHNOVGHHA-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

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?

The IUPAC name of 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (CID 140957425) is 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc2cc(-c3nc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccc8ccccc8c7)c6c54)nc4ccccc34)ccc2c1.

What is the InChIKey of 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?

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

What are the key properties of 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?

15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-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 15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 140957425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).