3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C50H40N4Pt — CID 58202889

About 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 58202889) has the molecular formula C50H40N4Pt and a molecular weight of 891.98 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 58202889
• Molecular Formula: C50H40N4Pt
• Molecular Weight: 891.98 g/mol
• Exact Mass: 891.29
• IUPAC Name: 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1ccc2c(c1)c1ccc[c-]c1c1nc(CCc3nc4c5[c-]cccc5c5cc(C)ccc5n4c3-c3c(C)cccc3C)c(-c3c(C)cccc3C)n21.[Pt+2]
• InChI: InChI=1S/C50H40N4.Pt/c1-29-21-25-43-39(27-29)35-17-7-9-19-37(35)49-51-41(47(53(43)49)45-31(3)13-11-14-32(45)4)23-24-42-48(46-33(5)15-12-16-34(46)6)54-44-26-22-30(2)28-40(44)36-18-8-10-20-38(36)50(54)52-42;/h7-18,21-22,25-28H,23-24H2,1-6H3;/q-2;+2
• InChIKey: AWYCZMXRXXIQJW-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.98
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 58202889) is 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1ccc2c(c1)c1ccc[c-]c1c1nc(CCc3nc4c5[c-]cccc5c5cc(C)ccc5n4c3-c3c(C)cccc3C)c(-c3c(C)cccc3C)n21.[Pt+2].

What is the InChIKey of 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is AWYCZMXRXXIQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4.Pt/c1-29-21-25-43-39(27-29)35-17-7-9-19-37(35)49-51-41(47(53(43)49)45-31(3)13-11-14-32(45)4)23-24-42-48(46-33(5)15-12-16-34(46)6)54-44-26-22-30(2)28-40(44)36-18-8-10-20-38(36)50(54)52-42;/h7-18,21-22,25-28H,23-24H2,1-6H3;/q-2;+2.

What are the key properties of 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 891.98 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 58202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).