9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum

C60H55N4OPt-3 — CID 177128678

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum (PubChem CID 177128678) has the molecular formula C60H55N4OPt-3 and a molecular weight of 1043.20 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 177128678
• Molecular Formula: C60H55N4OPt-3
• Molecular Weight: 1043.20 g/mol
• Exact Mass: 1042.40
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1ccc2c(c1CC(C)C)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt]
• InChI: InChI=1S/C60H55N4O.Pt/c1-40(2)34-44-28-31-55-58(52(44)35-41(3)4)51-30-29-48(38-56(51)64(55)57-36-45(32-33-61-57)60(5,6)7)65-47-23-16-22-46(37-47)62-39-63(54-27-15-14-26-53(54)62)59-49(42-18-10-8-11-19-42)24-17-25-50(59)43-20-12-9-13-21-43;/h8-33,36,39-41H,34-35H2,1-7H3;/q-3
• InChIKey: YDOHKOXYIYUYDL-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.20
LogP ≤ 5	16.01
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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum (CID 177128678) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum is CC(C)Cc1ccc2c(c1CC(C)C)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt].

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

The InChIKey is YDOHKOXYIYUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N4O.Pt/c1-40(2)34-44-28-31-55-58(52(44)35-41(3)4)51-30-29-48(38-56(51)64(55)57-36-45(32-33-61-57)60(5,6)7)65-47-23-16-22-46(37-47)62-39-63(54-27-15-14-26-53(54)62)59-49(42-18-10-8-11-19-42)24-17-25-50(59)43-20-12-9-13-21-43;/h8-33,36,39-41H,34-35H2,1-7H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1043.20 g/mol, XLogP of 16.01, 11 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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177128678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).