18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

C50H28N2O — CID 126680233

About 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene

18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (PubChem CID 126680233) has the molecular formula C50H28N2O and a molecular weight of 672.79 g/mol. Its IUPAC name is 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
• PubChem CID: 126680233
• Molecular Formula: C50H28N2O
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.22
• IUPAC Name: 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc6c7c8c(ccc7n(-c7ccc9ccccc9c7)c6c54)oc4ccccc48)ccc-2c13
• InChI: InChI=1S/C50H28N2O/c1-2-11-30-28-31(21-20-29(30)10-1)51-43-26-27-45-48(39-15-6-8-19-44(39)53-45)47(43)40-23-22-37-34-14-5-7-18-41(34)52(49(37)50(40)51)42-25-24-36-33-13-4-3-12-32(33)35-16-9-17-38(42)46(35)36/h1-28H
• InChIKey: KKSIJTSDNYRWMV-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.79
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The IUPAC name of 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene (CID 126680233) is 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc6c7c8c(ccc7n(-c7ccc9ccccc9c7)c6c54)oc4ccccc48)ccc-2c13.

What is the InChIKey of 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

The InChIKey is KKSIJTSDNYRWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2O/c1-2-11-30-28-31(21-20-29(30)10-1)51-43-26-27-45-48(39-15-6-8-19-44(39)53-45)47(43)40-23-22-37-34-14-5-7-18-41(34)52(49(37)50(40)51)42-25-24-36-33-13-4-3-12-32(33)35-16-9-17-38(42)46(35)36/h1-28H.

What are the key properties of 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene?

18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene has a molecular weight of 672.79 g/mol, XLogP of 13.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-fluoranthen-3-yl-15-naphthalen-2-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 126680233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).