18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C52H30N2O — CID 118635356

About 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 118635356) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 118635356
• Molecular Formula: C52H30N2O
• Molecular Weight: 698.83 g/mol
• Exact Mass: 698.24
• IUPAC Name: 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c32)cc1
• InChI: InChI=1S/C52H30N2O/c1-2-15-32(16-3-1)53-43-25-9-6-20-40(43)47-48-42-22-8-11-27-45(42)55-52(48)51-49(50(47)53)41-21-7-10-26-44(41)54(51)33-17-12-14-31(30-33)34-28-29-39-36-19-5-4-18-35(36)38-24-13-23-37(34)46(38)39/h1-30H
• InChIKey: FODJKSYTCDLOHZ-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-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 118635356) is 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c32)cc1.

What is the InChIKey of 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

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

What are the key properties of 18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

18-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-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-(3-fluoranthen-3-ylphenyl)-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 118635356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).