9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C46H41N4OPt-3 — CID 155651671

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 155651671) has the molecular formula C46H41N4OPt-3 and a molecular weight of 860.94 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 155651671
• Molecular Formula: C46H41N4OPt-3
• Molecular Weight: 860.94 g/mol
• Exact Mass: 860.29
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1c(C)c(C)c(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)c(-c2ccccc2)c1C.[Pt]
• InChI: InChI=1S/C46H41N4O.Pt/c1-30-31(2)33(4)45(44(32(30)3)34-14-9-8-10-15-34)49-25-24-48(29-49)36-16-13-17-37(27-36)51-38-20-21-40-39-18-11-12-19-41(39)50(42(40)28-38)43-26-35(22-23-47-43)46(5,6)7;/h8-26,29H,1-7H3;/q-3
• InChIKey: WLPUFPQEVSYHCF-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.94
LogP ≤ 5	11.68
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 155651671) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1c(C)c(C)c(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)c(-c2ccccc2)c1C.[Pt].

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

The InChIKey is WLPUFPQEVSYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N4O.Pt/c1-30-31(2)33(4)45(44(32(30)3)34-14-9-8-10-15-34)49-25-24-48(29-49)36-16-13-17-37(27-36)51-38-20-21-40-39-18-11-12-19-41(39)50(42(40)28-38)43-26-35(22-23-47-43)46(5,6)7;/h8-26,29H,1-7H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 860.94 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,3,4,5-tetramethyl-6-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).