4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C50H28N2O — CID 126679292

About 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679292) has the molecular formula C50H28N2O and a molecular weight of 672.79 g/mol. Its IUPAC name is 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679292
• Molecular Formula: C50H28N2O
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.22
• IUPAC Name: 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5ccc6c(c7ccc8oc9ccccc9c8c7n6-c6cccc7ccccc67)c54)cc-2c13
• InChI: InChI=1S/C50H28N2O/c1-2-14-32-29(11-1)12-10-21-41(32)52-43-25-23-37-35-17-5-7-20-42(35)51(31-27-30-13-9-19-36-33-15-3-4-16-34(33)40(28-31)46(30)36)49(37)47(43)39-24-26-45-48(50(39)52)38-18-6-8-22-44(38)53-45/h1-28H
• InChIKey: WEFGXKTWRVVMDI-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 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679292) is 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5ccc6c(c7ccc8oc9ccccc9c8c7n6-c6cccc7ccccc67)c54)cc-2c13.

What is the InChIKey of 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

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

What are the key properties of 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-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 4-fluoranthen-2-yl-15-naphthalen-1-yl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).