9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

C43H34N5O2Pt-3 — CID 162445688

About 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 162445688) has the molecular formula C43H34N5O2Pt-3 and a molecular weight of 847.86 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 162445688
• Molecular Formula: C43H34N5O2Pt-3
• Molecular Weight: 847.86 g/mol
• Exact Mass: 847.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1N1N=C[N-]C1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c2c(c1)oc1ccccc12.[Pt]
• InChI: InChI=1S/C43H34N5O2.Pt/c1-26-11-10-12-27(2)41(26)48-42(45-25-46-48)28-21-37(40-33-14-7-9-16-36(33)50-38(40)22-28)49-30-17-18-32-31-13-6-8-15-34(31)47(35(32)24-30)39-23-29(19-20-44-39)43(3,4)5;/h6-20,22-23,25,42H,1-5H3;/q-3
• InChIKey: NPFDTFDEFZHODX-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 69.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.86
LogP ≤ 5	11.22
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 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum (CID 162445688) is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1N1N=C[N-]C1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)c2c(c1)oc1ccccc12.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is NPFDTFDEFZHODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N5O2.Pt/c1-26-11-10-12-27(2)41(26)48-42(45-25-46-48)28-21-37(40-33-14-7-9-16-36(33)50-38(40)22-28)49-30-17-18-32-31-13-6-8-15-34(31)47(35(32)24-30)39-23-29(19-20-44-39)43(3,4)5;/h6-20,22-23,25,42H,1-5H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 847.86 g/mol, XLogP of 11.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[2-(2,6-dimethylphenyl)-1,2-diaza-4-azanidacyclopent-5-en-3-yl]-2H-dibenzofuran-2-id-1-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162445688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).