3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)

C42H27FN4PtS — CID 162482836

About 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)

3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+) (PubChem CID 162482836) has the molecular formula C42H27FN4PtS and a molecular weight of 833.85 g/mol. Its IUPAC name is 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+).

Molecular Properties

• Compound Name: 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)
• PubChem CID: 162482836
• Molecular Formula: C42H27FN4PtS
• Molecular Weight: 833.85 g/mol
• Exact Mass: 833.16
• IUPAC Name: 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)
• SMILES: CC1(C)c2ccccc2Sc2c1ccc1c3cccnc3n(-c3[c-]c(C(F)c4[c-]c5c(cc4)c4ccccc4n4ccnc54)ccc3)c21.[Pt+2]
• InChI: InChI=1S/C42H27FN4S.Pt/c1-42(2)33-13-4-6-15-36(33)48-39-34(42)19-18-30-31-12-8-20-44-41(31)47(38(30)39)27-10-7-9-25(23-27)37(43)26-16-17-28-29-11-3-5-14-35(29)46-22-21-45-40(46)32(28)24-26;/h3-22,37H,1-2H3;/q-2;+2
• InChIKey: YIXHTXYUAUAUPY-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 35.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.85
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)?

The IUPAC name of 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+) (CID 162482836) is 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+).

What is the SMILES notation for 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)?

The canonical SMILES for 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+) is CC1(C)c2ccccc2Sc2c1ccc1c3cccnc3n(-c3[c-]c(C(F)c4[c-]c5c(cc4)c4ccccc4n4ccnc54)ccc3)c21.[Pt+2].

What is the InChIKey of 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)?

The InChIKey is YIXHTXYUAUAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN4S.Pt/c1-42(2)33-13-4-6-15-36(33)48-39-34(42)19-18-30-31-12-8-20-44-41(31)47(38(30)39)27-10-7-9-25(23-27)37(43)26-16-17-28-29-11-3-5-14-35(29)46-22-21-45-40(46)32(28)24-26;/h3-22,37H,1-2H3;/q-2;+2.

What are the key properties of 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)?

3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+) has a molecular weight of 833.85 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]benzene-2-id-1-yl]-14,14-dimethyl-21-thia-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+) is sourced from PubChem (CID 162482836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).