platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C41H28N4OPt — CID 164703962

About platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 164703962) has the molecular formula C41H28N4OPt and a molecular weight of 787.78 g/mol. Its IUPAC name is platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 164703962
• Molecular Formula: C41H28N4OPt
• Molecular Weight: 787.78 g/mol
• Exact Mass: 787.19
• IUPAC Name: platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: Cc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c(-n6c7ccccc7c7cccnc76)ccc5)[c-]c4c3n2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C41H28N4O.Pt/c1-25-20-26(2)39(27(3)21-25)36-24-44-37-15-6-4-12-32(37)31-18-17-30(23-35(31)41(44)43-36)46-29-11-8-10-28(22-29)45-38-16-7-5-13-33(38)34-14-9-19-42-40(34)45;/h4-21,24H,1-3H3;/q-2;+2
• InChIKey: CHUXXGMIFGJAHU-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.78
LogP ≤ 5	10.12
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 platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 164703962) is platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c(-n6c7ccccc7c7cccnc76)ccc5)[c-]c4c3n2)c(C)c1.[Pt+2].

What is the InChIKey of platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is CHUXXGMIFGJAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O.Pt/c1-25-20-26(2)39(27(3)21-25)36-24-44-37-15-6-4-12-32(37)31-18-17-30(23-35(31)41(44)43-36)46-29-11-8-10-28(22-29)45-38-16-7-5-13-33(38)34-14-9-19-42-40(34)45;/h4-21,24H,1-3H3;/q-2;+2.

What are the key properties of platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 787.78 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 164703962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).