9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

About 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 168848437) has the molecular formula C30H19FN5OPt-3 and a molecular weight of 679.59 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name	9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
PubChem CID	168848437
Molecular Formula	C30H19FN5OPt-3
Molecular Weight	679.59 g/mol
Exact Mass	679.12
IUPAC Name	9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
SMILES	CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ncc2)c2ccccc21.[Pt]
InChI	InChI=1S/C30H19FN5O.Pt/c1-34-19-35(27-9-5-4-8-26(27)34)21-13-15-33-30(17-21)37-22-10-11-24-23-6-2-3-7-25(23)36(28(24)18-22)29-16-20(31)12-14-32-29;/h2-16,19H,1H3;/q-3;
InChIKey	SEIMLZNHMQDRFM-UHFFFAOYSA-N
XLogP	6.81
TPSA	46.42 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.59
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (CID 168848437) is 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(F)ccn3)ncc2)c2ccccc21.[Pt].

What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is SEIMLZNHMQDRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN5O.Pt/c1-34-19-35(27-9-5-4-8-26(27)34)21-13-15-33-30(17-21)37-22-10-11-24-23-6-2-3-7-25(23)36(28(24)18-22)29-16-20(31)12-14-32-29;/h2-16,19H,1H3;/q-3;.

What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 679.59 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoro-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168848437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).