[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum

C62H52BN4Pt-3 — CID 155651433

About [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum

[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum (PubChem CID 155651433) has the molecular formula C62H52BN4Pt-3 and a molecular weight of 1059.02 g/mol. Its IUPAC name is [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum.

Molecular Properties

• Compound Name: [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum
• PubChem CID: 155651433
• Molecular Formula: C62H52BN4Pt-3
• Molecular Weight: 1059.02 g/mol
• Exact Mass: 1058.39
• IUPAC Name: [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum
• SMILES: Cc1cc2c(cc1C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(B(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc2)ccc1.[Pt]
• InChI: InChI=1S/C62H52BN4.Pt/c1-43-35-58-59(36-44(43)2)66(53-38-47(61(3,4)45-21-10-7-11-22-45)37-48(39-53)62(5,6)46-23-12-8-13-24-46)42-65(58)52-28-20-27-50(40-52)63(49-25-14-9-15-26-49)51-32-33-55-54-29-16-17-30-56(54)67(57(55)41-51)60-31-18-19-34-64-60;/h7-39,42H,1-6H3;/q-3
• InChIKey: XMZXMUPAIDGXMK-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.02
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum?

The IUPAC name of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum (CID 155651433) is [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum.

What is the SMILES notation for [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum?

The canonical SMILES for [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum is Cc1cc2c(cc1C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(B(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc2)ccc1.[Pt].

What is the InChIKey of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum?

The InChIKey is XMZXMUPAIDGXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52BN4.Pt/c1-43-35-58-59(36-44(43)2)66(53-38-47(61(3,4)45-21-10-7-11-22-45)37-48(39-53)62(5,6)46-23-12-8-13-24-46)42-65(58)52-28-20-27-50(40-52)63(49-25-14-9-15-26-49)51-32-33-55-54-29-16-17-30-56(54)67(57(55)41-51)60-31-18-19-34-64-60;/h7-39,42H,1-6H3;/q-3;.

What are the key properties of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum?

[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum has a molecular weight of 1059.02 g/mol, XLogP of 12.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-phenyl-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)borane;platinum is sourced from PubChem (CID 155651433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).