[2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol

C30H37B2N8O2Pt- — CID 162499326

About [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol

[2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol (PubChem CID 162499326) has the molecular formula C30H37B2N8O2Pt- and a molecular weight of 758.38 g/mol. Its IUPAC name is [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol.

Molecular Properties

• Compound Name: [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol
• PubChem CID: 162499326
• Molecular Formula: C30H37B2N8O2Pt-
• Molecular Weight: 758.38 g/mol
• Exact Mass: 758.29
• IUPAC Name: [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol
• SMILES: CC(O)CC(C)O.CN(C)B1B(N(C)C)N(c2ccc(-c3cncnc3)cc2)C(=[Pt])N1c1[c-]cc(-c2cncnc2)cc1
• InChI: InChI=1S/C25H25B2N8.C5H12O2.Pt/c1-32(2)26-27(33(3)4)35(25-11-7-21(8-12-25)23-15-30-18-31-16-23)19-34(26)24-9-5-20(6-10-24)22-13-28-17-29-14-22;1-4(6)3-5(2)7;/h5-11,13-18H,1-4H3;4-7H,3H2,1-2H3;/q-1
• InChIKey: IHWVFRKKIKHQAW-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 104.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	758.38
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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 [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol?

The IUPAC name of [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol (CID 162499326) is [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol.

What is the SMILES notation for [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol?

The canonical SMILES for [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol is CC(O)CC(C)O.CN(C)B1B(N(C)C)N(c2ccc(-c3cncnc3)cc2)C(=[Pt])N1c1[c-]cc(-c2cncnc2)cc1.

What is the InChIKey of [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol?

The InChIKey is IHWVFRKKIKHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25B2N8.C5H12O2.Pt/c1-32(2)26-27(33(3)4)35(25-11-7-21(8-12-25)23-15-30-18-31-16-23)19-34(26)24-9-5-20(6-10-24)22-13-28-17-29-14-22;1-4(6)3-5(2)7;/h5-11,13-18H,1-4H3;4-7H,3H2,1-2H3;/q-1;;.

What are the key properties of [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol?

[2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol has a molecular weight of 758.38 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol is sourced from PubChem (CID 162499326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).