15-fluoranthen-8-yl-18-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 126680212

About 15-fluoranthen-8-yl-18-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

15-fluoranthen-8-yl-18-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 126680212) has the molecular formula C50H28N2O and a molecular weight of 672.79 g/mol. Its IUPAC name is 15-fluoranthen-8-yl-18-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: 15-fluoranthen-8-yl-18-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: 126680212
• Molecular Formula: C50H28N2O
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.22
• IUPAC Name: 15-fluoranthen-8-yl-18-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: c1ccc2cc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccc8c(c6)-c6cccc9cccc-8c69)c5c43)oc3ccccc37)ccc2c1
• InChI: InChI=1S/C50H28N2O/c1-2-10-31-27-32(20-19-29(31)9-1)51-42-17-5-3-13-35(42)38-23-24-40-47-43(25-26-45-48(47)39-14-4-6-18-44(39)53-45)52(50(40)49(38)51)33-21-22-34-36-15-7-11-30-12-8-16-37(46(30)36)41(34)28-33/h1-28H
• InChIKey: KFGRKTIBBKUAAH-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 15-fluoranthen-8-yl-18-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 15-fluoranthen-8-yl-18-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 126680212) is 15-fluoranthen-8-yl-18-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 15-fluoranthen-8-yl-18-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 15-fluoranthen-8-yl-18-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 c1ccc2cc(-n3c4ccccc4c4ccc5c6c7c(ccc6n(-c6ccc8c(c6)-c6cccc9cccc-8c69)c5c43)oc3ccccc37)ccc2c1.

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

What are the key properties of 15-fluoranthen-8-yl-18-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?

15-fluoranthen-8-yl-18-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 15-fluoranthen-8-yl-18-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 126680212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).