2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum

C71H57N4OPt-3 — CID 172545828

About 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum (PubChem CID 172545828) has the molecular formula C71H57N4OPt-3 and a molecular weight of 1177.34 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172545828
• Molecular Formula: C71H57N4OPt-3
• Molecular Weight: 1177.34 g/mol
• Exact Mass: 1176.42
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)ccc4)ccc3c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc32)c1.[Pt]
• InChI: InChI=1S/C71H57N4O.Pt/c1-69(2,3)51-37-38-72-67(44-51)75-65-43-52(71(50-25-14-9-15-26-50)63-31-18-16-29-57(63)58-30-17-19-32-64(58)71)33-35-59(65)60-36-34-56(46-66(60)75)76-55-28-20-27-54(45-55)73-39-40-74(47-73)68-61(48-21-10-7-11-22-48)41-53(70(4,5)6)42-62(68)49-23-12-8-13-24-49;/h7-44,47H,1-6H3;/q-3
• InChIKey: GVBLKQADUMZNDZ-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.34
LogP ≤ 5	17.78
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-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum (CID 172545828) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)[CH-]5)ccc4)ccc3c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is GVBLKQADUMZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H57N4O.Pt/c1-69(2,3)51-37-38-72-67(44-51)75-65-43-52(71(50-25-14-9-15-26-50)63-31-18-16-29-57(63)58-30-17-19-32-64(58)71)33-35-59(65)60-36-34-56(46-66(60)75)76-55-28-20-27-54(45-55)73-39-40-74(47-73)68-61(48-21-10-7-11-22-48)41-53(70(4,5)6)42-62(68)49-23-12-8-13-24-49;/h7-44,47H,1-6H3;/q-3;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum?

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1177.34 g/mol, XLogP of 17.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172545828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).