2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))

C171H136N19O4Pt4-3 — CID 158405397

About 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))

2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)) (PubChem CID 158405397) has the molecular formula C171H136N19O4Pt4-3 and a molecular weight of 3301.41 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))
• PubChem CID: 158405397
• Molecular Formula: C171H136N19O4Pt4-3
• Molecular Weight: 3301.41 g/mol
• Exact Mass: 3298.96
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C#N)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cn(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.Cc1ccc2c(c1)N(C)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-n2nc(C)cc2C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/C53H43N5O.C49H35N5O.C40H39N4O.C29H19N5O.4Pt/c1-52(2,3)39-24-25-55-50(30-39)58-48-23-20-35(32-54)26-46(48)45-22-21-41(31-49(45)58)59-42-28-38(27-40(29-42)53(4,5)6)47-33-57(34-56-47)51-43(36-14-9-7-10-15-36)18-13-19-44(51)37-16-11-8-12-17-37;1-49(2,3)36-24-25-51-47(26-36)54-45-21-12-11-18-43(45)44-23-22-39(30-46(44)54)55-40-28-37(50-4)27-38(29-40)53-32-35(31-52-53)48-41(33-14-7-5-8-15-33)19-13-20-42(48)34-16-9-6-10-17-34;1-26-13-16-35-37(19-26)42(8)25-43(35)29-20-28(40(5,6)7)21-31(23-29)45-30-14-15-33-32-11-9-10-12-34(32)44(36(33)24-30)38-22-27(17-18-41-38)39(2,3)4;1-19-14-20(2)34(32-19)22-15-21(30-3)16-24(17-22)35-23-11-12-26-25-8-4-5-9-27(25)33(28(26)18-23)29-10-6-7-13-31-29;;;;/h7-27,29-30,33-34H,1-6H3;5-28,31-32H,1-3H3;9-22,25H,1-8H3;4-16H,1-2H3;;;;/q2*-2;-3;-2;;3*+2
• InChIKey: VKOCIJPLKLMOQR-UHFFFAOYSA-N
• XLogP: 42.93
• TPSA: 200.65 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3301.41
LogP ≤ 5	42.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)) (CID 158405397) is 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)).

What is the SMILES notation for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))?

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C#N)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2cn(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.Cc1ccc2c(c1)N(C)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cn2)c1.[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(-n2nc(C)cc2C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))?

The InChIKey is VKOCIJPLKLMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N5O.C49H35N5O.C40H39N4O.C29H19N5O.4Pt/c1-52(2,3)39-24-25-55-50(30-39)58-48-23-20-35(32-54)26-46(48)45-22-21-41(31-49(45)58)59-42-28-38(27-40(29-42)53(4,5)6)47-33-57(34-56-47)51-43(36-14-9-7-10-15-36)18-13-19-44(51)37-16-11-8-12-17-37;1-49(2,3)36-24-25-51-47(26-36)54-45-21-12-11-18-43(45)44-23-22-39(30-46(44)54)55-40-28-37(50-4)27-38(29-40)53-32-35(31-52-53)48-41(33-14-7-5-8-15-33)19-13-20-42(48)34-16-9-6-10-17-34;1-26-13-16-35-37(19-26)42(8)25-43(35)29-20-28(40(5,6)7)21-31(23-29)45-30-14-15-33-32-11-9-10-12-34(32)44(36(33)24-30)38-22-27(17-18-41-38)39(2,3)4;1-19-14-20(2)34(32-19)22-15-21(30-3)16-24(17-22)35-23-11-12-26-25-8-4-5-9-27(25)33(28(26)18-23)29-10-6-7-13-31-29;;;;/h7-27,29-30,33-34H,1-6H3;5-28,31-32H,1-3H3;9-22,25H,1-8H3;4-16H,1-2H3;;;;/q2*-2;-3;-2;;3*+2.

What are the key properties of 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+))?

2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)) has a molecular weight of 3301.41 g/mol, XLogP of 42.93, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-[3-tert-butyl-5-[1-(2,6-diphenylphenyl)imidazol-4-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum;tris(platinum(2+)) is sourced from PubChem (CID 158405397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).