2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum

C38H24BN4O2Pt-3 — CID 155616560

About 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum

2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum (PubChem CID 155616560) has the molecular formula C38H24BN4O2Pt-3 and a molecular weight of 774.53 g/mol. Its IUPAC name is 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum.

Molecular Properties

• Compound Name: 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum
• PubChem CID: 155616560
• Molecular Formula: C38H24BN4O2Pt-3
• Molecular Weight: 774.53 g/mol
• Exact Mass: 774.17
• IUPAC Name: 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3ccccc3)C=C1B(c1ccccc1)O2
• InChI: InChI=1S/C38H24BN4O2.Pt/c1-3-11-27(12-4-1)39-37-25-41(28-13-5-2-6-14-28)26-42(37)35-24-30(19-21-36(35)45-39)44-29-18-20-32-31-15-7-8-16-33(31)43(34(32)23-29)38-17-9-10-22-40-38;/h1-22,25-26H;/q-3
• InChIKey: PEIGZOVCFPCPLT-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.53
LogP ≤ 5	7.69
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 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum?

The IUPAC name of 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum (CID 155616560) is 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum.

What is the SMILES notation for 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum?

The canonical SMILES for 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3ccccc3)C=C1B(c1ccccc1)O2.

What is the InChIKey of 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum?

The InChIKey is PEIGZOVCFPCPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24BN4O2.Pt/c1-3-11-27(12-4-1)39-37-25-41(28-13-5-2-6-14-28)26-42(37)35-24-30(19-21-36(35)45-39)44-29-18-20-32-31-15-7-8-16-33(31)43(34(32)23-29)38-17-9-10-22-40-38;/h1-22,25-26H;/q-3;.

What are the key properties of 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum?

2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum has a molecular weight of 774.53 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum is sourced from PubChem (CID 155616560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).