5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum

C45H38N5OPt-3 — CID 155633331

IUPAC5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
SMILESCc1nc2cc(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)[c-]c(Oc3cc(C(C)(C)C)ccn3)n2c1C.[Pt]
InChIInChI=1S/C45H38N5O.Pt/c1-29-30(2)50-41(47-29)25-33(27-43(50)51-42-26-31(22-23-46-42)44(3,4)5)45(37-18-9-7-16-35(37)36-17-8-10-19-38(36)45)32-14-13-15-34(24-32)49-28-48(6)39-20-11-12-21-40(39)49;/h7-23,25-26,28H,1-6H3;/q-3;
InChIKeyIIPYBVKGXOTDIQ-UHFFFAOYSA-N
MW859.91 g/mol
LogP10.10
Rot. Bonds5

About 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum

5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (PubChem CID 155633331) has the molecular formula C45H38N5OPt-3 and a molecular weight of 859.91 g/mol. Its IUPAC name is 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum.

Molecular Properties

Compound Name5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
PubChem CID155633331
Molecular FormulaC45H38N5OPt-3
Molecular Weight859.91 g/mol
Exact Mass859.27
IUPAC Name5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
SMILESCc1nc2cc(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)[c-]c(Oc3cc(C(C)(C)C)ccn3)n2c1C.[Pt]
InChIInChI=1S/C45H38N5O.Pt/c1-29-30(2)50-41(47-29)25-33(27-43(50)51-42-26-31(22-23-46-42)44(3,4)5)45(37-18-9-7-16-35(37)36-17-8-10-19-38(36)45)32-14-13-15-34(24-32)49-28-48(6)39-20-11-12-21-40(39)49;/h7-23,25-26,28H,1-6H3;/q-3;
InChIKeyIIPYBVKGXOTDIQ-UHFFFAOYSA-N
XLogP10.10
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.91
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The IUPAC name of 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (CID 155633331) is 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum.
What is the SMILES notation for 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The canonical SMILES for 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum is Cc1nc2cc(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)[c-]c(Oc3cc(C(C)(C)C)ccn3)n2c1C.[Pt].
What is the InChIKey of 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The InChIKey is IIPYBVKGXOTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N5O.Pt/c1-29-30(2)50-41(47-29)25-33(27-43(50)51-42-26-31(22-23-46-42)44(3,4)5)45(37-18-9-7-16-35(37)36-17-8-10-19-38(36)45)32-14-13-15-34(24-32)49-28-48(6)39-20-11-12-21-40(39)49;/h7-23,25-26,28H,1-6H3;/q-3;.
What are the key properties of 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum has a molecular weight of 859.91 g/mol, XLogP of 10.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum is sourced from PubChem (CID 155633331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).