1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum

C65H56N3OPt-3 — CID 155651427

About 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum

1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum (PubChem CID 155651427) has the molecular formula C65H56N3OPt-3 and a molecular weight of 1090.26 g/mol. Its IUPAC name is 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
• PubChem CID: 155651427
• Molecular Formula: C65H56N3OPt-3
• Molecular Weight: 1090.26 g/mol
• Exact Mass: 1089.41
• IUPAC Name: 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)[c-]c(N2[CH-]N(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C65H56N3O.Pt/c1-62(2,3)48-38-52(43-54(42-48)69-53-28-22-27-47(41-53)65(61-35-20-21-36-66-61)57-31-16-14-29-55(57)56-30-15-17-32-58(56)65)68-44-67(59-33-18-19-34-60(59)68)51-39-49(63(4,5)45-23-10-8-11-24-45)37-50(40-51)64(6,7)46-25-12-9-13-26-46;/h8-40,42,44H,1-7H3;/q-3
• InChIKey: LYXKGTQNDLIBDL-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.26
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum (CID 155651427) is 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)[c-]c(N2[CH-]N(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1.[Pt].

What is the InChIKey of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

The InChIKey is LYXKGTQNDLIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N3O.Pt/c1-62(2,3)48-38-52(43-54(42-48)69-53-28-22-27-47(41-53)65(61-35-20-21-36-66-61)57-31-16-14-29-55(57)56-30-15-17-32-58(56)65)68-44-67(59-33-18-19-34-60(59)68)51-39-49(63(4,5)45-23-10-8-11-24-45)37-50(40-51)64(6,7)46-25-12-9-13-26-46;/h8-40,42,44H,1-7H3;/q-3;.

What are the key properties of 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum?

1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum has a molecular weight of 1090.26 g/mol, XLogP of 16.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155651427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).