9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

C39H23FN4S — CID 140955791

IUPAC9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESFC(c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4cnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4S/c40-36(24-16-17-26-27-10-1-4-13-32(27)43-19-18-41-38(43)30(26)21-24)23-8-7-9-25(20-23)44-33-14-5-2-12-29(33)35-37-31(22-42-39(35)44)28-11-3-6-15-34(28)45-37/h1-22,36H
InChIKeyPHPZDVSKKMPIHL-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.56
Rot. Bonds3

About 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (PubChem CID 140955791) has the molecular formula C39H23FN4S and a molecular weight of 598.71 g/mol. Its IUPAC name is 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
PubChem CID140955791
Molecular FormulaC39H23FN4S
Molecular Weight598.71 g/mol
Exact Mass598.16
IUPAC Name9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESFC(c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4cnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4S/c40-36(24-16-17-26-27-10-1-4-13-32(27)43-19-18-41-38(43)30(26)21-24)23-8-7-9-25(20-23)44-33-14-5-2-12-29(33)35-37-31(22-42-39(35)44)28-11-3-6-15-34(28)45-37/h1-22,36H
InChIKeyPHPZDVSKKMPIHL-UHFFFAOYSA-N
XLogP10.56
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene with MolForge

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Related Compounds

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2-(4-Methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
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2-(4-Fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 51359835
2-Cyclohexyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
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CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
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CID 71699136
2-N-isoquinolin-1-yl-9-thiophen-3-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
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6-(2-Thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine
CID 11631533
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029

Frequently Asked Questions

What is the IUPAC name of 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The IUPAC name of 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (CID 140955791) is 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.
What is the SMILES notation for 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The canonical SMILES for 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is FC(c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4cnc32)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The InChIKey is PHPZDVSKKMPIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4S/c40-36(24-16-17-26-27-10-1-4-13-32(27)43-19-18-41-38(43)30(26)21-24)23-8-7-9-25(20-23)44-33-14-5-2-12-29(33)35-37-31(22-42-39(35)44)28-11-3-6-15-34(28)45-37/h1-22,36H.
What are the key properties of 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene has a molecular weight of 598.71 g/mol, XLogP of 10.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 140955791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).