3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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+)

C41H26N4OPtS — CID 162482945

About 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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 162482945) has the molecular formula C41H26N4OPtS and a molecular weight of 817.83 g/mol. Its IUPAC name is 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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: 162482945
• Molecular Formula: C41H26N4OPtS
• Molecular Weight: 817.83 g/mol
• Exact Mass: 817.15
• IUPAC Name: 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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)c2ccccc2Sc2ccc3c4cccnc4n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n5ccnc65)ccc4)c3c21.[Pt+2]
• InChI: InChI=1S/C41H26N4OS.Pt/c1-41(2)33-13-4-6-15-35(33)47-36-19-18-30-31-12-8-20-42-40(31)45(38(30)37(36)41)25-9-7-10-26(23-25)46-27-16-17-28-29-11-3-5-14-34(29)44-22-21-43-39(44)32(28)24-27;/h3-22H,1-2H3;/q-2;+2
• InChIKey: YEVXRJHSPRCYLJ-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 44.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.83
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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 162482945) is 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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)c2ccccc2Sc2ccc3c4cccnc4n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n5ccnc65)ccc4)c3c21.[Pt+2].

What is the InChIKey of 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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 YEVXRJHSPRCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4OS.Pt/c1-41(2)33-13-4-6-15-35(33)47-36-19-18-30-31-12-8-20-42-40(31)45(38(30)37(36)41)25-9-7-10-26(23-25)46-27-16-17-28-29-11-3-5-14-34(29)44-22-21-43-39(44)32(28)24-27;/h3-22H,1-2H3;/q-2;+2.

What are the key properties of 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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 817.83 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-21,21-dimethyl-14-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 162482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).