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

C28H18N5OPtS-3 — CID 168848423

IUPAC2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccs3)ncc2)c2ccccc21.[Pt]
InChIInChI=1S/C28H18N5OS.Pt/c1-31-18-32(25-9-5-4-8-24(25)31)19-12-13-29-27(16-19)34-20-10-11-22-21-6-2-3-7-23(21)33(26(22)17-20)28-30-14-15-35-28;/h2-15,18H,1H3;/q-3;
InChIKeyZCXPHRMHNMYPTR-UHFFFAOYSA-N
MW667.63 g/mol
LogP6.73
Rot. Bonds4

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

2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum (PubChem CID 168848423) has the molecular formula C28H18N5OPtS-3 and a molecular weight of 667.63 g/mol. Its IUPAC name is 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum.

Molecular Properties

Compound Name2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum
PubChem CID168848423
Molecular FormulaC28H18N5OPtS-3
Molecular Weight667.63 g/mol
Exact Mass667.09
IUPAC Name2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccs3)ncc2)c2ccccc21.[Pt]
InChIInChI=1S/C28H18N5OS.Pt/c1-31-18-32(25-9-5-4-8-24(25)31)19-12-13-29-27(16-19)34-20-10-11-22-21-6-2-3-7-23(21)33(26(22)17-20)28-30-14-15-35-28;/h2-15,18H,1H3;/q-3;
InChIKeyZCXPHRMHNMYPTR-UHFFFAOYSA-N
XLogP6.73
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.63
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?
The IUPAC name of 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum (CID 168848423) is 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum.
What is the SMILES notation for 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?
The canonical SMILES for 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccs3)ncc2)c2ccccc21.[Pt].
What is the InChIKey of 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?
The InChIKey is ZCXPHRMHNMYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N5OS.Pt/c1-31-18-32(25-9-5-4-8-24(25)31)19-12-13-29-27(16-19)34-20-10-11-22-21-6-2-3-7-23(21)33(26(22)17-20)28-30-14-15-35-28;/h2-15,18H,1H3;/q-3;.
What are the key properties of 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum?
2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum has a molecular weight of 667.63 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-id-9-yl]-1,3-thiazole;platinum is sourced from PubChem (CID 168848423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).