2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)

C61H55N3OPt — CID 153490522

About 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)

2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+) (PubChem CID 153490522) has the molecular formula C61H55N3OPt and a molecular weight of 1041.21 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 153490522
• Molecular Formula: C61H55N3OPt
• Molecular Weight: 1041.21 g/mol
• Exact Mass: 1040.40
• IUPAC Name: 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)
• SMILES: CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4[c-]ccc(C(C)(C)C)c4)ccc3)c3ccccc32)cc1.[Pt+4]
• InChI: InChI=1S/C61H55N3O.Pt/c1-59(2,3)43-31-27-41(28-32-43)50-22-16-23-51(42-29-33-44(34-30-42)60(4,5)6)58(50)63-40-62(55-25-12-13-26-56(55)63)46-18-15-20-48(38-46)65-49-35-36-53-52-21-10-11-24-54(52)64(57(53)39-49)47-19-14-17-45(37-47)61(7,8)9;/h10-18,20-37,40H,1-9H3;/q-4;+4
• InChIKey: TXQWKHYDKQPLKS-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 20.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.21
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)?

The IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+) (CID 153490522) is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+).

What is the SMILES notation for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)?

The canonical SMILES for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+) is CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4[c-]ccc(C(C)(C)C)c4)ccc3)c3ccccc32)cc1.[Pt+4].

What is the InChIKey of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)?

The InChIKey is TXQWKHYDKQPLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55N3O.Pt/c1-59(2,3)43-31-27-41(28-32-43)50-22-16-23-51(42-29-33-44(34-30-42)60(4,5)6)58(50)63-40-62(55-25-12-13-26-56(55)63)46-18-15-20-48(38-46)65-49-35-36-53-52-21-10-11-24-54(52)64(57(53)39-49)47-19-14-17-45(37-47)61(7,8)9;/h10-18,20-37,40H,1-9H3;/q-4;+4.

What are the key properties of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+)?

2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 1041.21 g/mol, XLogP of 16.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(3-tert-butylbenzene-6-id-1-yl)-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 153490522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).