3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)

C46H38BN5OPt — CID 156622844

About 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)

3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+) (PubChem CID 156622844) has the molecular formula C46H38BN5OPt and a molecular weight of 882.73 g/mol. Its IUPAC name is 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)
• PubChem CID: 156622844
• Molecular Formula: C46H38BN5OPt
• Molecular Weight: 882.73 g/mol
• Exact Mass: 882.28
• IUPAC Name: 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)
• SMILES: Cc1cccc(C)c1B1N(c2ccccc2)c2cccnc2N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C46H38BN5O.Pt/c1-31-14-11-15-32(2)44(31)47-51(34-16-7-6-8-17-34)41-22-13-26-49-45(41)52(47)35-18-12-19-36(29-35)53-37-23-24-39-38-20-9-10-21-40(38)50(42(39)30-37)43-28-33(25-27-48-43)46(3,4)5;/h6-28H,1-5H3;/q-2;+2
• InChIKey: LUWCKBAGZISZLG-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.73
LogP ≤ 5	10.56
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 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)?

The IUPAC name of 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+) (CID 156622844) is 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+).

What is the SMILES notation for 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)?

The canonical SMILES for 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+) is Cc1cccc(C)c1B1N(c2ccccc2)c2cccnc2N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)?

The InChIKey is LUWCKBAGZISZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38BN5O.Pt/c1-31-14-11-15-32(2)44(31)47-51(34-16-7-6-8-17-34)41-22-13-26-49-45(41)52(47)35-18-12-19-36(29-35)53-37-23-24-39-38-20-9-10-21-40(38)50(42(39)30-37)43-28-33(25-27-48-43)46(3,4)5;/h6-28H,1-5H3;/q-2;+2.

What are the key properties of 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+)?

3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+) has a molecular weight of 882.73 g/mol, XLogP of 10.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2-(2,6-dimethylphenyl)-1-phenyl-[1,3,2]diazaborolo[4,5-b]pyridine;platinum(2+) is sourced from PubChem (CID 156622844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).