(1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum

C47H55N4OPt- — CID 176831650

About (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum

(1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum (PubChem CID 176831650) has the molecular formula C47H55N4OPt- and a molecular weight of 887.06 g/mol. Its IUPAC name is (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum.

Molecular Properties

• Compound Name: (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum
• PubChem CID: 176831650
• Molecular Formula: C47H55N4OPt-
• Molecular Weight: 887.06 g/mol
• Exact Mass: 886.40
• IUPAC Name: (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum
• SMILES: C/C(=c1/nc(C(C)(C)C)n2c(nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc32)/c1=C(\O)CC(C)(C)C)C(C)(C)C.[Pt]
• InChI: InChI=1S/C47H55N4O.Pt/c1-29(45(5,6)7)40-39(38(52)28-44(2,3)4)42-49-41-35(20-17-21-37(41)51(42)43(50-40)47(11,12)13)32-24-33(26-34(25-32)46(8,9)10)36-27-31(22-23-48-36)30-18-15-14-16-19-30;/h14-23,25-27,52H,28H2,1-13H3;/q-1;/b39-38-,40-29-
• InChIKey: GWGWKQXNBDNUDD-XQCXVWOQSA-N
• XLogP: 10.99
• TPSA: 63.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.06
LogP ≤ 5	10.99
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 (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum?

The IUPAC name of (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum (CID 176831650) is (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum.

What is the SMILES notation for (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum?

The canonical SMILES for (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum is C/C(=c1/nc(C(C)(C)C)n2c(nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc32)/c1=C(\O)CC(C)(C)C)C(C)(C)C.[Pt].

What is the InChIKey of (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum?

The InChIKey is GWGWKQXNBDNUDD-XQCXVWOQSA-N. The full InChI is InChI=1S/C47H55N4O.Pt/c1-29(45(5,6)7)40-39(38(52)28-44(2,3)4)42-49-41-35(20-17-21-37(41)51(42)43(50-40)47(11,12)13)32-24-33(26-34(25-32)46(8,9)10)36-27-31(22-23-48-36)30-18-15-14-16-19-30;/h14-23,25-27,52H,28H2,1-13H3;/q-1;/b39-38-,40-29-;.

What are the key properties of (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum?

(1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum has a molecular weight of 887.06 g/mol, XLogP of 10.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-1-[(3Z)-1-tert-butyl-6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-3-(3,3-dimethylbutan-2-ylidene)pyrimido[1,6-a]benzimidazol-4-ylidene]-3,3-dimethylbutan-1-ol;platinum is sourced from PubChem (CID 176831650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).