5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)

C₃₇H₃₀BN₅OPt — CID 155616069

About 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)

5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+) (PubChem CID 155616069) has the molecular formula C₃₇H₃₀BN₅OPt and a molecular weight of 766.57 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)
• PubChem CID: 155616069
• Molecular Formula: C₃₇H₃₀BN₅OPt
• Molecular Weight: 766.57 g/mol
• Exact Mass: 766.22
• IUPAC Name: 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)
• SMILES: Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2]
• InChI: InChI=1S/C37H30BN5O.Pt/c1-23-9-8-10-24(2)36(23)38-41(5)32-16-14-27(20-31(32)37-39-17-18-42(37)38)44-28-13-15-30-29-11-6-7-12-33(29)43(34(30)21-28)35-19-25(3)26(4)22-40-35;/h6-19,22H,1-5H3;/q-2;+2
• InChIKey: LQFOXJNAVMKTCE-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.57
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)?

The IUPAC name of 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+) (CID 155616069) is 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+).

What is the SMILES notation for 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)?

The canonical SMILES for 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+) is Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2].

What is the InChIKey of 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)?

The InChIKey is LQFOXJNAVMKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30BN5O.Pt/c1-23-9-8-10-24(2)36(23)38-41(5)32-16-14-27(20-31(32)37-39-17-18-42(37)38)44-28-13-15-30-29-11-6-7-12-33(29)43(34(30)21-28)35-19-25(3)26(4)22-40-35;/h6-19,22H,1-5H3;/q-2;+2.

What are the key properties of 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)?

5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+) has a molecular weight of 766.57 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+) is sourced from PubChem (CID 155616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155616069 — identifiers, structure, computed properties (public domain)

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