2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C45H35N5OPt — CID 155635929

About 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155635929) has the molecular formula C45H35N5OPt and a molecular weight of 856.89 g/mol. Its IUPAC name is 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155635929
• Molecular Formula: C45H35N5OPt
• Molecular Weight: 856.89 g/mol
• Exact Mass: 856.25
• IUPAC Name: 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2nccn2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C45H35N5O.Pt/c1-29(2)39-25-32(31-13-7-6-8-14-31)26-40(30(3)4)44(39)49-22-21-48-45(49)33-23-34(46-5)27-36(24-33)51-35-18-19-38-37-15-9-10-16-41(37)50(42(38)28-35)43-17-11-12-20-47-43;/h6-23,25-27,29-30H,1-4H3;/q-2;+2
• InChIKey: JFZOQLXYPKQETB-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 49.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.89
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 155635929) is 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-c2nccn2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.[Pt+2].

What is the InChIKey of 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is JFZOQLXYPKQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N5O.Pt/c1-29(2)39-25-32(31-13-7-6-8-14-31)26-40(30(3)4)44(39)49-22-21-48-45(49)33-23-34(46-5)27-36(24-33)51-35-18-19-38-37-15-9-10-16-41(37)50(42(38)28-35)43-17-11-12-20-47-43;/h6-23,25-27,29-30H,1-4H3;/q-2;+2.

What are the key properties of 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 856.89 g/mol, XLogP of 11.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-isocyano-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155635929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).