2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum

C65H59N4OPt- — CID 177093908

About 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum

2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum (PubChem CID 177093908) has the molecular formula C65H59N4OPt- and a molecular weight of 1107.29 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum
• PubChem CID: 177093908
• Molecular Formula: C65H59N4OPt-
• Molecular Weight: 1107.29 g/mol
• Exact Mass: 1106.43
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum
• SMILES: Cn1c(-c2ccc(-c3c(C(C)(C)C)ccc4cc(C(C)(C)C)ccc34)cc2O)nc2c(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C65H59N4O.Pt/c1-63(2,3)45-28-30-48-40(35-45)27-31-54(65(7,8)9)59(48)42-26-29-53(58(70)39-42)62-67-60-49(21-17-25-57(60)68(62)10)43-34-44(37-46(36-43)64(4,5)6)55-38-41(32-33-66-55)50-22-16-23-52-51-20-14-15-24-56(51)69(61(50)52)47-18-12-11-13-19-47;/h11-33,35-39,70H,1-10H3;/q-1
• InChIKey: ZAUXFKIHLAXMNR-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.29
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	1
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-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum (CID 177093908) is 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum is Cn1c(-c2ccc(-c3c(C(C)(C)C)ccc4cc(C(C)(C)C)ccc34)cc2O)nc2c(-c3[c-]c(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum?

The InChIKey is ZAUXFKIHLAXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59N4O.Pt/c1-63(2,3)45-28-30-48-40(35-45)27-31-54(65(7,8)9)59(48)42-26-29-53(58(70)39-42)62-67-60-49(21-17-25-57(60)68(62)10)43-34-44(37-46(36-43)64(4,5)6)55-38-41(32-33-66-55)50-22-16-23-52-51-20-14-15-24-56(51)69(61(50)52)47-18-12-11-13-19-47;/h11-33,35-39,70H,1-10H3;/q-1;.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum?

2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum has a molecular weight of 1107.29 g/mol, XLogP of 16.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum is sourced from PubChem (CID 177093908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).