8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum

C45H38N5OPt-3 — CID 155633407

IUPAC8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum
SMILESCc1nc2c(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)cn2c1C.[Pt]
InChIInChI=1S/C45H38N5O.Pt/c1-29-30(2)49-27-33(25-41(43(49)47-29)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)50-28-48(6)39-20-11-12-21-40(39)50;/h7-23,26-28H,1-6H3;/q-3;
InChIKeyINZDBTSRIQPYAA-UHFFFAOYSA-N
MW859.91 g/mol
LogP10.10
Rot. Bonds5

About 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum

8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum (PubChem CID 155633407) has the molecular formula C45H38N5OPt-3 and a molecular weight of 859.91 g/mol. Its IUPAC name is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum.

Molecular Properties

Compound Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum
PubChem CID155633407
Molecular FormulaC45H38N5OPt-3
Molecular Weight859.91 g/mol
Exact Mass859.27
IUPAC Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum
SMILESCc1nc2c(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)cn2c1C.[Pt]
InChIInChI=1S/C45H38N5O.Pt/c1-29-30(2)49-27-33(25-41(43(49)47-29)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)50-28-48(6)39-20-11-12-21-40(39)50;/h7-23,26-28H,1-6H3;/q-3;
InChIKeyINZDBTSRIQPYAA-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'}

Analyze 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum with MolForge

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Related Compounds

3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 140709664
2-[3-[3-[1-(2,6-Diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2,6-di(phenyl)pyridine;osmium(4+)
CID 140903756
3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)
CID 153423538
2-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
CID 153429106
CID 153446981
CID 153446981
CID 153447016
CID 153447016
4-Tert-butyl-2-[9-(3-imidazol-1-ylphenyl)fluoren-9-yl]-6-phenoxypyridine
CID 155113838
4-Tert-butyl-2-[9-[3-(3-methylimidazol-3-ium-1-yl)phenyl]fluoren-9-yl]-6-phenoxypyridine
CID 155113839
4-Tert-butyl-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]-6-(9-phenylfluoren-9-yl)pyridine
CID 155614496
4-Tert-butyl-2-(3-imidazol-1-ylphenoxy)-6-(9-phenylfluoren-9-yl)pyridine
CID 155614562
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
5-[(4-tert-butyl-2-pyridinyl)oxy]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
CID 155633347

Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum (CID 155633407) is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum.
What is the SMILES notation for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The canonical SMILES for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum is Cc1nc2c(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4)c4ccccc4-c4ccccc43)cn2c1C.[Pt].
What is the InChIKey of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The InChIKey is INZDBTSRIQPYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N5O.Pt/c1-29-30(2)49-27-33(25-41(43(49)47-29)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)50-28-48(6)39-20-11-12-21-40(39)50;/h7-23,26-28H,1-6H3;/q-3;.
What are the key properties of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-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 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum is sourced from PubChem (CID 155633407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).