5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)

C71H66N4Pt — CID 176643214

About 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)

5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+) (PubChem CID 176643214) has the molecular formula C71H66N4Pt and a molecular weight of 1170.41 g/mol. Its IUPAC name is 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+).

Molecular Properties

• Compound Name: 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)
• PubChem CID: 176643214
• Molecular Formula: C71H66N4Pt
• Molecular Weight: 1170.41 g/mol
• Exact Mass: 1169.49
• IUPAC Name: 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc4c2[n-]c2cc(C(C)(C)C)cc(C(C)(C)C)c24)n3-c2ccccc2C(C)(C)C)[c-]c(C2(c3ccccn3)c3ccccc3-c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C71H66N4.Pt/c1-67(2,3)47-37-46(38-49(41-47)71(62-35-22-23-36-72-62)55-30-18-16-27-51(55)52-28-17-19-31-56(52)71)50-29-24-34-61-65(50)74-66(75(61)60-33-21-20-32-57(60)69(7,8)9)54-40-45(44-25-14-13-15-26-44)39-53-63-58(70(10,11)12)42-48(68(4,5)6)43-59(63)73-64(53)54;/h13-37,39-43H,1-12H3;/q-2;+2
• InChIKey: AFRYKMZQKXVRAG-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 44.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.41
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)?

The IUPAC name of 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+) (CID 176643214) is 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+).

What is the SMILES notation for 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)?

The canonical SMILES for 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+) is CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(-c4ccccc4)cc4c2[n-]c2cc(C(C)(C)C)cc(C(C)(C)C)c24)n3-c2ccccc2C(C)(C)C)[c-]c(C2(c3ccccn3)c3ccccc3-c3ccccc32)c1.[Pt+2].

What is the InChIKey of 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)?

The InChIKey is AFRYKMZQKXVRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H66N4.Pt/c1-67(2,3)47-37-46(38-49(41-47)71(62-35-22-23-36-72-62)55-30-18-16-27-51(55)52-28-17-19-31-56(52)71)50-29-24-34-61-65(50)74-66(75(61)60-33-21-20-32-57(60)69(7,8)9)54-40-45(44-25-14-13-15-26-44)39-53-63-58(70(10,11)12)42-48(68(4,5)6)43-59(63)73-64(53)54;/h13-37,39-43H,1-12H3;/q-2;+2.

What are the key properties of 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+)?

5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+) has a molecular weight of 1170.41 g/mol, XLogP of 18.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-ditert-butyl-1-[1-(2-tert-butylphenyl)-4-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)benzene-6-id-1-yl]benzimidazol-2-yl]-3-phenylcarbazol-9-ide;platinum(2+) is sourced from PubChem (CID 176643214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).