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

C72H71N4OPt-3 — CID 168751410

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

2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 168751410) has the molecular formula C72H71N4OPt-3 and a molecular weight of 1203.46 g/mol. Its IUPAC name is 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 168751410
• Molecular Formula: C72H71N4OPt-3
• Molecular Weight: 1203.46 g/mol
• Exact Mass: 1202.53
• IUPAC Name: 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(CCc6cc(C(C)(C)C)ccc6-c6cccc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt]
• InChI: InChI=1S/C72H71N4O.Pt/c1-48(2)37-49-33-35-73-69(38-49)76-65-32-27-52(50-19-13-12-14-20-50)43-64(65)63-31-29-61(46-68(63)76)77-60-24-18-23-59(45-60)75-47-74(66-25-15-16-26-67(66)75)36-34-54-40-56(70(3,4)5)28-30-62(54)53-22-17-21-51(39-53)55-41-57(71(6,7)8)44-58(42-55)72(9,10)11;/h12-33,35,38-44,47-48H,34,36-37H2,1-11H3;/q-3
• InChIKey: NKJSAHRMJORYIU-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.46
LogP ≤ 5	18.98
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-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (CID 168751410) is 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(CCc6cc(C(C)(C)C)ccc6-c6cccc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].

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

The InChIKey is NKJSAHRMJORYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H71N4O.Pt/c1-48(2)37-49-33-35-73-69(38-49)76-65-32-27-52(50-19-13-12-14-20-50)43-64(65)63-31-29-61(46-68(63)76)77-60-24-18-23-59(45-60)75-47-74(66-25-15-16-26-67(66)75)36-34-54-40-56(70(3,4)5)28-30-62(54)53-22-17-21-51(39-53)55-41-57(71(6,7)8)44-58(42-55)72(9,10)11;/h12-33,35,38-44,47-48H,34,36-37H2,1-11H3;/q-3;.

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

2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1203.46 g/mol, XLogP of 18.98, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[5-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).