[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum

C60H54BN4Pt-3 — CID 155651453

About [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum

[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum (PubChem CID 155651453) has the molecular formula C60H54BN4Pt-3 and a molecular weight of 1037.01 g/mol. Its IUPAC name is [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum.

Molecular Properties

• Compound Name: [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum
• PubChem CID: 155651453
• Molecular Formula: C60H54BN4Pt-3
• Molecular Weight: 1037.01 g/mol
• Exact Mass: 1036.41
• IUPAC Name: [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(B(c4[c-]c(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)[CH-]5)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C60H54BN4.Pt/c1-58(2,3)45-32-33-62-57(39-45)65-55-29-18-17-28-53(55)54-31-30-50(41-56(54)65)61(48-24-15-10-16-25-48)49-26-19-27-51(40-49)63-34-35-64(42-63)52-37-46(59(4,5)43-20-11-8-12-21-43)36-47(38-52)60(6,7)44-22-13-9-14-23-44;/h8-39,42H,1-7H3;/q-3
• InChIKey: KVWKPWHAFFYQQB-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.01
LogP ≤ 5	12.16
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]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum?

The IUPAC name of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum (CID 155651453) is [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum.

What is the SMILES notation for [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum?

The canonical SMILES for [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(B(c4[c-]c(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)[CH-]5)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum?

The InChIKey is KVWKPWHAFFYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54BN4.Pt/c1-58(2,3)45-32-33-62-57(39-45)65-55-29-18-17-28-53(55)54-31-30-50(41-56(54)65)61(48-24-15-10-16-25-48)49-26-19-27-51(40-49)63-34-35-64(42-63)52-37-46(59(4,5)43-20-11-8-12-21-43)36-47(38-52)60(6,7)44-22-13-9-14-23-44;/h8-39,42H,1-7H3;/q-3;.

What are the key properties of [3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum?

[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum has a molecular weight of 1037.01 g/mol, XLogP of 12.16, 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]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-phenylborane;platinum is sourced from PubChem (CID 155651453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).