2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum

C48H49N6OPt-3 — CID 168748397

About 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum (PubChem CID 168748397) has the molecular formula C48H49N6OPt-3 and a molecular weight of 921.04 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168748397
• Molecular Formula: C48H49N6OPt-3
• Molecular Weight: 921.04 g/mol
• Exact Mass: 920.36
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1-n1cnnc1-n1c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cccc(C(C)(C)C)c5)C=C4C(C)C)cc(C(C)(C)C)c3)ccc2c2ccccc21.[Pt]
• InChI: InChI=1S/C48H49N6O.Pt/c1-31(2)44-28-51(36-18-14-17-34(23-36)47(5,6)7)30-53(44)37-24-35(48(8,9)10)25-39(26-37)55-38-21-22-41-40-19-11-12-20-42(40)54(43(41)27-38)46-50-49-29-52(46)45-32(3)15-13-16-33(45)4;/h11-25,28-31H,1-10H3;/q-3
• InChIKey: SOOWKMXTNYSTHB-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 51.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.04
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum (CID 168748397) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1-n1cnnc1-n1c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cccc(C(C)(C)C)c5)C=C4C(C)C)cc(C(C)(C)C)c3)ccc2c2ccccc21.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is SOOWKMXTNYSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N6O.Pt/c1-31(2)44-28-51(36-18-14-17-34(23-36)47(5,6)7)30-53(44)37-24-35(48(8,9)10)25-39(26-37)55-38-21-22-41-40-19-11-12-20-42(40)54(43(41)27-38)46-50-49-29-52(46)45-32(3)15-13-16-33(45)4;/h11-25,28-31H,1-10H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 921.04 g/mol, XLogP of 11.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-propan-2-yl-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168748397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).