17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C39H23FN4S — CID 140952085

About 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 140952085) has the molecular formula C39H23FN4S and a molecular weight of 598.71 g/mol. Its IUPAC name is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
• PubChem CID: 140952085
• Molecular Formula: C39H23FN4S
• Molecular Weight: 598.71 g/mol
• Exact Mass: 598.16
• IUPAC Name: 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3c4c(ccc3n(-c3ccccn3)c2c1)sc1ccccc14
• InChI: InChI=1S/C39H23FN4S/c40-38(23-12-14-25-26-7-1-3-9-30(26)43-20-19-42-39(43)29(25)21-23)24-13-15-27-32(22-24)44(35-11-5-6-18-41-35)31-16-17-34-37(36(27)31)28-8-2-4-10-33(28)45-34/h1-22,38H
• InChIKey: GHAXTJZIASRQFC-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 35.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.71
LogP ≤ 5	10.56
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 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 140952085) is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

What is the SMILES notation for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The canonical SMILES for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3c4c(ccc3n(-c3ccccn3)c2c1)sc1ccccc14.

What is the InChIKey of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

The InChIKey is GHAXTJZIASRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4S/c40-38(23-12-14-25-26-7-1-3-9-30(26)43-20-19-42-39(43)29(25)21-23)24-13-15-27-32(22-24)44(35-11-5-6-18-41-35)31-16-17-34-37(36(27)31)28-8-2-4-10-33(28)45-34/h1-22,38H.

What are the key properties of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?

17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),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 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14-pyridin-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 140952085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).