10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C39H23FN4O — CID 140952830

IUPAC10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESFC(c1cccc(-n2c3cc4c(cc3c3cccnc32)oc2ccccc24)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4O/c40-37(24-14-15-26-27-9-1-3-12-33(27)43-18-17-42-38(43)32(26)20-24)23-7-5-8-25(19-23)44-34-21-31-28-10-2-4-13-35(28)45-36(31)22-30(34)29-11-6-16-41-39(29)44/h1-22,37H
InChIKeyXZOQSVTZGXKUAT-UHFFFAOYSA-N
MW582.64 g/mol
LogP10.09
Rot. Bonds3

About 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 140952830) has the molecular formula C39H23FN4O and a molecular weight of 582.64 g/mol. Its IUPAC name is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID140952830
Molecular FormulaC39H23FN4O
Molecular Weight582.64 g/mol
Exact Mass582.19
IUPAC Name10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESFC(c1cccc(-n2c3cc4c(cc3c3cccnc32)oc2ccccc24)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4O/c40-37(24-14-15-26-27-9-1-3-12-33(27)43-18-17-42-38(43)32(26)20-24)23-7-5-8-25(19-23)44-34-21-31-28-10-2-4-13-35(28)45-36(31)22-30(34)29-11-6-16-41-39(29)44/h1-22,37H
InChIKeyXZOQSVTZGXKUAT-UHFFFAOYSA-N
XLogP10.09
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.64
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

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7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
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Frequently Asked Questions

What is the IUPAC name of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 140952830) is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is FC(c1cccc(-n2c3cc4c(cc3c3cccnc32)oc2ccccc24)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is XZOQSVTZGXKUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4O/c40-37(24-14-15-26-27-9-1-3-12-33(27)43-18-17-42-38(43)32(26)20-24)23-7-5-8-25(19-23)44-34-21-31-28-10-2-4-13-35(28)45-36(31)22-30(34)29-11-6-16-41-39(29)44/h1-22,37H.
What are the key properties of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-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 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 140952830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).