7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C53H54N4OPt — CID 164727377

About 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164727377) has the molecular formula C53H54N4OPt and a molecular weight of 958.12 g/mol. Its IUPAC name is 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 164727377
• Molecular Formula: C53H54N4OPt
• Molecular Weight: 958.12 g/mol
• Exact Mass: 957.39
• IUPAC Name: 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5nccn5-c5c(C(C)C)cc(C(C)C)cc5C(C)C)ccc4)ccc3c3ccc(C(C)(C)C)cc32)c1.[Pt+2]
• InChI: InChI=1S/C53H54N4O.Pt/c1-32(2)39-27-45(33(3)4)51(46(28-39)34(5)6)56-25-24-55-52(56)38-16-13-17-41(26-38)58-42-19-21-44-43-20-18-40(53(9,10)11)30-47(43)57(48(44)31-42)49-29-37(22-23-54-49)50-35(7)14-12-15-36(50)8;/h12-25,27-30,32-34H,1-11H3;/q-2;+2
• InChIKey: PLWAYWFVUGQRDG-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.12
LogP ≤ 5	14.37
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 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 164727377) is 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5nccn5-c5c(C(C)C)cc(C(C)C)cc5C(C)C)ccc4)ccc3c3ccc(C(C)(C)C)cc32)c1.[Pt+2].

What is the InChIKey of 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is PLWAYWFVUGQRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54N4O.Pt/c1-32(2)39-27-45(33(3)4)51(46(28-39)34(5)6)56-25-24-55-52(56)38-16-13-17-41(26-38)58-42-19-21-44-43-20-18-40(53(9,10)11)30-47(43)57(48(44)31-42)49-29-37(22-23-54-49)50-35(7)14-12-15-36(50)8;/h12-25,27-30,32-34H,1-11H3;/q-2;+2.

What are the key properties of 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 958.12 g/mol, XLogP of 14.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164727377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).