2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum

C54H63N6OPt-3 — CID 155651785

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

2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 155651785) has the molecular formula C54H63N6OPt-3 and a molecular weight of 1007.22 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155651785
• Molecular Formula: C54H63N6OPt-3
• Molecular Weight: 1007.22 g/mol
• Exact Mass: 1006.47
• IUPAC Name: 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc2nc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)C(C(C)(C)C)=C6C(C)(C)C)cc(C(C)(C)C)c5)ccc4c4ccccc43)nn12.[Pt]
• InChI: InChI=1S/C54H63N6O.Pt/c1-34-20-19-23-46-55-49(56-60(34)46)59-44-22-18-17-21-42(44)43-25-24-40(32-45(43)59)61-41-30-37(52(8,9)10)29-39(31-41)58-33-57(47(53(11,12)13)48(58)54(14,15)16)38-27-35(50(2,3)4)26-36(28-38)51(5,6)7;/h17-30,33H,1-16H3;/q-3
• InChIKey: OZPGAOFBRDFUOS-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 50.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.22
LogP ≤ 5	14.17
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-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum (CID 155651785) is 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum is Cc1cccc2nc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)C(C(C)(C)C)=C6C(C)(C)C)cc(C(C)(C)C)c5)ccc4c4ccccc43)nn12.[Pt].

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

The InChIKey is OZPGAOFBRDFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H63N6O.Pt/c1-34-20-19-23-46-55-49(56-60(34)46)59-44-22-18-17-21-42(44)43-25-24-40(32-45(43)59)61-41-30-37(52(8,9)10)29-39(31-41)58-33-57(47(53(11,12)13)48(58)54(14,15)16)38-27-35(50(2,3)4)26-36(28-38)51(5,6)7;/h17-30,33H,1-16H3;/q-3;.

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

2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1007.22 g/mol, XLogP of 14.17, 5 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-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).