[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

C36H30N4OPt-2 — CID 169030748

About [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169030748) has the molecular formula C36H30N4OPt-2 and a molecular weight of 729.74 g/mol. Its IUPAC name is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• PubChem CID: 169030748
• Molecular Formula: C36H30N4OPt-2
• Molecular Weight: 729.74 g/mol
• Exact Mass: 729.21
• IUPAC Name: [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• SMILES: Cn1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)-c3ccccc3CN4c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21
• InChI: InChI=1S/C36H30N4O.Pt/c1-36(2,3)26-18-19-37-35(20-26)39-23-25-10-5-6-13-30(25)31-17-16-29(22-34(31)39)41-28-12-9-11-27(21-28)40-24-38(4)32-14-7-8-15-33(32)40;/h5-20H,23H2,1-4H3;/q-2
• InChIKey: DVNQEYMZFUQKMI-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.74
LogP ≤ 5	8.45
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 [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169030748) is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2[c-]c(Oc3[c-]c4c(cc3)-c3ccccc3CN4c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.

What is the InChIKey of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The InChIKey is DVNQEYMZFUQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O.Pt/c1-36(2,3)26-18-19-37-35(20-26)39-23-25-10-5-6-13-30(25)31-17-16-29(22-34(31)39)41-28-12-9-11-27(21-28)40-24-38(4)32-14-7-8-15-33(32)40;/h5-20H,23H2,1-4H3;/q-2;.

What are the key properties of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 729.74 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).