3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C62H61N7OPt+2 — CID 168799720

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

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168799720) has the molecular formula C62H61N7OPt+2 and a molecular weight of 1115.30 g/mol. Its IUPAC name is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168799720
• Molecular Formula: C62H61N7OPt+2
• Molecular Weight: 1115.30 g/mol
• Exact Mass: 1114.46
• IUPAC Name: 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C62H61N7O.Pt/c1-59(2,3)41-25-21-39(22-26-41)56-64-57(40-23-27-42(28-24-40)60(4,5)6)66-58(65-56)49-36-48-47-34-43(61(7,8)9)29-30-50(47)69(55-20-16-17-31-63-55)53(48)37-54(49)70-46-33-44(62(10,11)12)32-45(35-46)68-38-67(13)51-18-14-15-19-52(51)68;/h14-34,36H,1-13H3;/q;+2
• InChIKey: SFBMVAANRSHZDN-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 71.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.30
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168799720) is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt+2].

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

The InChIKey is SFBMVAANRSHZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H61N7O.Pt/c1-59(2,3)41-25-21-39(22-26-41)56-64-57(40-23-27-42(28-24-40)60(4,5)6)66-58(65-56)49-36-48-47-34-43(61(7,8)9)29-30-50(47)69(55-20-16-17-31-63-55)53(48)37-54(49)70-46-33-44(62(10,11)12)32-45(35-46)68-38-67(13)51-18-14-15-19-52(51)68;/h14-34,36H,1-13H3;/q;+2.

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

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1115.30 g/mol, XLogP of 15.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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]-6-tert-butyl-2-[3-tert-butyl-5-(3-methylbenzimidazole-1,3-diium-1-yl)benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168799720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).