5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

C42H33N5OPt — CID 169289231

About 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (PubChem CID 169289231) has the molecular formula C42H33N5OPt and a molecular weight of 818.84 g/mol. Its IUPAC name is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• PubChem CID: 169289231
• Molecular Formula: C42H33N5OPt
• Molecular Weight: 818.84 g/mol
• Exact Mass: 818.23
• IUPAC Name: 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• SMILES: Cc1cc2c(cc1C)n1c3ccccc3nc1n2-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C42H33N5O.Pt/c1-26-21-38-39(22-27(26)2)47-36-16-9-7-14-34(36)44-41(47)45(38)29-11-10-12-30(24-29)48-31-17-18-33-32-13-6-8-15-35(32)46(37(33)25-31)40-23-28(19-20-43-40)42(3,4)5;/h6-23H,1-5H3;/q-2;+2
• InChIKey: SAIPCVDRDZGJOY-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.84
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The IUPAC name of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (CID 169289231) is 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

What is the SMILES notation for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The canonical SMILES for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is Cc1cc2c(cc1C)n1c3ccccc3nc1n2-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The InChIKey is SAIPCVDRDZGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O.Pt/c1-26-21-38-39(22-27(26)2)47-36-16-9-7-14-34(36)44-41(47)45(38)29-11-10-12-30(24-29)48-31-17-18-33-32-13-6-8-15-35(32)46(37(33)25-31)40-23-28(19-20-43-40)42(3,4)5;/h6-23H,1-5H3;/q-2;+2.

What are the key properties of 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) has a molecular weight of 818.84 g/mol, XLogP of 10.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is sourced from PubChem (CID 169289231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).