18-fluoranthen-2-yl-15-(3-phenylphenyl)-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

C52H30N2O — CID 126677916

About 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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

18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 126677916) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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: 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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: 126677916
• Molecular Formula: C52H30N2O
• Molecular Weight: 698.83 g/mol
• Exact Mass: 698.24
• IUPAC Name: 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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: c1ccc(-c2cccc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c6ccccc6n(-c6cc7c8c(cccc8c6)-c6ccccc6-7)c5c43)c2)cc1
• InChI: InChI=1S/C52H30N2O/c1-2-12-31(13-3-1)32-14-10-16-34(28-32)53-46-27-26-42-39-20-7-9-23-47(39)55-52(42)49(46)43-25-24-41-38-19-6-8-22-45(38)54(50(41)51(43)53)35-29-33-15-11-21-40-36-17-4-5-18-37(36)44(30-35)48(33)40/h1-30H
• InChIKey: NWJSYOBCJPFART-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.83
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 126677916) is 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 c1ccc(-c2cccc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c6ccccc6n(-c6cc7c8c(cccc8c6)-c6ccccc6-7)c5c43)c2)cc1.

What is the InChIKey of 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 NWJSYOBCJPFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-2-12-31(13-3-1)32-14-10-16-34(28-32)53-46-27-26-42-39-20-7-9-23-47(39)55-52(42)49(46)43-25-24-41-38-19-6-8-22-45(38)54(50(41)51(43)53)35-29-33-15-11-21-40-36-17-4-5-18-37(36)44(30-35)48(33)40/h1-30H.

What are the key properties of 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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?

18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 698.83 g/mol, XLogP of 14.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-fluoranthen-2-yl-15-(3-phenylphenyl)-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 126677916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).