2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C71H69N4OPt-3 — CID 162447201

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162447201) has the molecular formula C71H69N4OPt-3 and a molecular weight of 1189.44 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162447201
• Molecular Formula: C71H69N4OPt-3
• Molecular Weight: 1189.44 g/mol
• Exact Mass: 1188.51
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc2c(cc1C(C)(C)C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)ccc1.[Pt]
• InChI: InChI=1S/C71H69N4O.Pt/c1-67(2,3)60-45-64-65(46-61(60)68(4,5)6)74(55-40-52(70(9,10)49-27-18-14-19-28-49)39-53(41-55)71(11,12)50-29-20-15-21-30-50)47-73(64)54-31-24-32-56(43-54)76-57-35-36-59-58-33-22-23-34-62(58)75(63(59)44-57)66-42-51(37-38-72-66)69(7,8)48-25-16-13-17-26-48;/h13-42,45-47H,1-12H3;/q-3
• InChIKey: VEXYOWMVWGACHM-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.44
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162447201) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc2c(cc1C(C)(C)C)N(c1cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)ccc1.[Pt].

What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is VEXYOWMVWGACHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H69N4O.Pt/c1-67(2,3)60-45-64-65(46-61(60)68(4,5)6)74(55-40-52(70(9,10)49-27-18-14-19-28-49)39-53(41-55)71(11,12)50-29-20-15-21-30-50)47-73(64)54-31-24-32-56(43-54)76-57-35-36-59-58-33-22-23-34-62(58)75(63(59)44-57)66-42-51(37-38-72-66)69(7,8)48-25-16-13-17-26-48;/h13-42,45-47H,1-12H3;/q-3;.

What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1189.44 g/mol, XLogP of 18.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5,6-ditert-butyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).