11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C43H32N4OPt — CID 164704190

About 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 164704190) has the molecular formula C43H32N4OPt and a molecular weight of 815.83 g/mol. Its IUPAC name is 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 164704190
• Molecular Formula: C43H32N4OPt
• Molecular Weight: 815.83 g/mol
• Exact Mass: 815.22
• IUPAC Name: 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c(-n5c6cc(C(C)(C)C)ccc6c6cccnc65)ccc4)[c-]c3c2n1.[Pt+2]
• InChI: InChI=1S/C43H32N4O.Pt/c1-27-11-5-6-14-32(27)38-26-46-39-17-8-7-15-34(39)33-21-19-31(25-37(33)42(46)45-38)48-30-13-9-12-29(24-30)47-40-23-28(43(2,3)4)18-20-35(40)36-16-10-22-44-41(36)47;/h5-23,26H,1-4H3;/q-2;+2
• InChIKey: AFCANJDNZKTZNQ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.83
LogP ≤ 5	10.80
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 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 164704190) is 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c(-n5c6cc(C(C)(C)C)ccc6c6cccnc65)ccc4)[c-]c3c2n1.[Pt+2].

What is the InChIKey of 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is AFCANJDNZKTZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O.Pt/c1-27-11-5-6-14-32(27)38-26-46-39-17-8-7-15-34(39)33-21-19-31(25-37(33)42(46)45-38)48-30-13-9-12-29(24-30)47-40-23-28(43(2,3)4)18-20-35(40)36-16-10-22-44-41(36)47;/h5-23,26H,1-4H3;/q-2;+2.

What are the key properties of 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 815.83 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 164704190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).