10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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

C39H23FN4S — CID 140953615

About 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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-thia-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 140953615) has the molecular formula C39H23FN4S and a molecular weight of 598.71 g/mol. Its IUPAC name is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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 Name: 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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: 140953615
• Molecular Formula: C39H23FN4S
• Molecular Weight: 598.71 g/mol
• Exact Mass: 598.16
• IUPAC Name: 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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
• SMILES: FC(c1cccc(-n2c3cc4c(cc3c3cccnc32)sc2ccccc24)c1)c1ccc2c3ccccc3n3ccnc3c2c1
• InChI: InChI=1S/C39H23FN4S/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
• InChIKey: YPDNIHRLXQARBG-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 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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-thia-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 140953615) is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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-thia-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-thia-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)sc2ccccc24)c1)c1ccc2c3ccccc3n3ccnc3c2c1.

What is the InChIKey of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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 YPDNIHRLXQARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4S/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-thia-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-thia-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 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 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-thia-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 140953615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).