20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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

C39H23FN4S — CID 140952981

IUPAC20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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
SMILESFC(c1cccc(-n2c3ncccc3c3ccc4sc5ccccc5c4c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4S/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
InChIKeySJYLEEHNIINUPE-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.56
Rot. Bonds3

About 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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-thia-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 140952981) has the molecular formula C39H23FN4S and a molecular weight of 598.71 g/mol. Its IUPAC name is 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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 Name20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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 CID140952981
Molecular FormulaC39H23FN4S
Molecular Weight598.71 g/mol
Exact Mass598.16
IUPAC Name20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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
SMILESFC(c1cccc(-n2c3ncccc3c3ccc4sc5ccccc5c4c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C39H23FN4S/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
InChIKeySJYLEEHNIINUPE-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 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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-thia-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 140952981) is 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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-thia-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-thia-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(-n2c3ncccc3c3ccc4sc5ccccc5c4c32)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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 SJYLEEHNIINUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4S/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-thia-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-thia-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 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 20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-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 140952981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).