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

C58H60N7OPt-3 — CID 168799796

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

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168799796) has the molecular formula C58H60N7OPt-3 and a molecular weight of 1066.24 g/mol. Its IUPAC name is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168799796
• Molecular Formula: C58H60N7OPt-3
• Molecular Weight: 1066.24 g/mol
• Exact Mass: 1065.45
• IUPAC Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt]
• InChI: InChI=1S/C58H60N7O.Pt/c1-55(2,3)39-22-18-37(19-23-39)52-60-53(38-20-24-40(25-21-38)56(4,5)6)62-54(61-52)47-34-46-45-16-14-15-17-48(45)65(51-32-41(26-27-59-51)57(7,8)9)49(46)35-50(47)66-44-31-42(58(10,11)12)30-43(33-44)64-29-28-63(13)36-64;/h14-32,34,36H,1-13H3;/q-3
• InChIKey: QPRZDSGQAXKYRV-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 72.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.24
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168799796) is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt].

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

The InChIKey is QPRZDSGQAXKYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N7O.Pt/c1-55(2,3)39-22-18-37(19-23-39)52-60-53(38-20-24-40(25-21-38)56(4,5)6)62-54(61-52)47-34-46-45-16-14-15-17-48(45)65(51-32-41(26-27-59-51)57(7,8)9)49(46)35-50(47)66-44-31-42(58(10,11)12)30-43(33-44)64-29-28-63(13)36-64;/h14-32,34,36H,1-13H3;/q-3;.

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

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1066.24 g/mol, XLogP of 14.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168799796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).