11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C39H23FN4O — CID 140955534

IUPAC11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1cc2c(c3ccccc3n2-c2ccccn2)c2c1oc1ccccc12
InChIInChI=1S/C39H23FN4O/c40-37(23-16-17-24-25-9-1-4-12-30(25)43-20-19-42-39(43)28(24)21-23)29-22-32-35(36-27-11-3-6-14-33(27)45-38(29)36)26-10-2-5-13-31(26)44(32)34-15-7-8-18-41-34/h1-22,37H
InChIKeyHMRAEFIUSJXHMP-UHFFFAOYSA-N
MW582.64 g/mol
LogP10.09
Rot. Bonds3

About 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 140955534) has the molecular formula C39H23FN4O and a molecular weight of 582.64 g/mol. Its IUPAC name is 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID140955534
Molecular FormulaC39H23FN4O
Molecular Weight582.64 g/mol
Exact Mass582.19
IUPAC Name11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESFC(c1ccc2c3ccccc3n3ccnc3c2c1)c1cc2c(c3ccccc3n2-c2ccccn2)c2c1oc1ccccc12
InChIInChI=1S/C39H23FN4O/c40-37(23-16-17-24-25-9-1-4-12-30(25)43-20-19-42-39(43)28(24)21-23)29-22-32-35(36-27-11-3-6-14-33(27)45-38(29)36)26-10-2-5-13-31(26)44(32)34-15-7-8-18-41-34/h1-22,37H
InChIKeyHMRAEFIUSJXHMP-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 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

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1-[4-[8-methoxy-2-methyl-1-[(1S)-1-phenylethyl]imidazo[4,5-c]quinolin-7-yl]phenyl]ethanone
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CID 9847240
1'-Methyl-5-[2'-methyl-4'-(1-methylimidazol-5-yl)biphenyl-4-carbonyl]-2,3,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine]
CID 21833747
3-Benzyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435894
2-[4-[8-(1-Benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
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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;iridium
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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
CID 59359359
2-[5-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-fluoro-1-benzofuran-2-yl]benzonitrile
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CID 68346070
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CID 69156959

Frequently Asked Questions

What is the IUPAC name of 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 140955534) is 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1cc2c(c3ccccc3n2-c2ccccn2)c2c1oc1ccccc12.
What is the InChIKey of 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is HMRAEFIUSJXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4O/c40-37(23-16-17-24-25-9-1-4-12-30(25)43-20-19-42-39(43)28(24)21-23)29-22-32-35(36-27-11-3-6-14-33(27)45-38(29)36)26-10-2-5-13-31(26)44(32)34-15-7-8-18-41-34/h1-22,37H.
What are the key properties of 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-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 11-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140955534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).