20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C39H23FN4O — CID 140954187

About 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 140954187) has the molecular formula C39H23FN4O and a molecular weight of 582.64 g/mol. Its IUPAC name is 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• PubChem CID: 140954187
• Molecular Formula: C39H23FN4O
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.19
• IUPAC Name: 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• SMILES: FC(c1cccc(-n2c3ncccc3c3ccc4oc5ccccc5c4c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
• InChI: InChI=1S/C39H23FN4O/c40-36(24-14-15-26-27-9-1-3-12-32(27)43-20-19-42-38(43)31(26)22-24)23-7-5-8-25(21-23)44-37-28(29-11-6-18-41-39(29)44)16-17-34-35(37)30-10-2-4-13-33(30)45-34/h1-22,36H
• InChIKey: MSYKUAOMAXGNSW-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 48.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The IUPAC name of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 140954187) is 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

What is the SMILES notation for 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The canonical SMILES for 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is FC(c1cccc(-n2c3ncccc3c3ccc4oc5ccccc5c4c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1.

What is the InChIKey of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The InChIKey is MSYKUAOMAXGNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4O/c40-36(24-14-15-26-27-9-1-3-12-32(27)43-20-19-42-38(43)31(26)22-24)23-7-5-8-25(21-23)44-37-28(29-11-6-18-41-39(29)44)16-17-34-35(37)30-10-2-4-13-33(30)45-34/h1-22,36H.

What are the key properties of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 582.64 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 140954187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).