15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 126678003

About 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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

15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 126678003) has the molecular formula C50H28N2O and a molecular weight of 672.79 g/mol. Its IUPAC name is 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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: 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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: 126678003
• Molecular Formula: C50H28N2O
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.22
• IUPAC Name: 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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(-n4c5ccc6c7ccccc7oc6c5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)cc-2c13
• InChI: InChI=1S/C50H28N2O/c1-2-11-30-26-32(21-20-29(30)10-1)51-42-18-7-5-16-39(42)47-43(51)25-23-40-48-44(24-22-38-36-15-6-8-19-45(36)53-50(38)48)52(49(40)47)33-27-31-12-9-17-37-34-13-3-4-14-35(34)41(28-33)46(31)37/h1-28H
• InChIKey: LOZMWOXJRUPAQB-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-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 126678003) is 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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(-n4c5ccc6c7ccccc7oc6c5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)cc-2c13.

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

What are the key properties of 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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?

15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-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 126678003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).