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

C41H36N5OPt-3 — CID 155633401

IUPAC5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-imidazol-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(N5C=CN(C)[CH-]5)ccc4)c4ccccc4-c4ccccc43)[c-]c(Oc3cc(C(C)(C)C)ccn3)n2c1C.[Pt]
InChIInChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(43-27)23-31(25-39(46)47-38-24-29(18-19-42-38)40(3,4)5)41(30-12-11-13-32(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23-24,26H,1-6H3;/q-3;
InChIKeyYBXVEMOPJHEGEN-UHFFFAOYSA-N
MW809.85 g/mol
LogP8.74
Rot. Bonds5

About 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-imidazol-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-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (PubChem CID 155633401) has the molecular formula C41H36N5OPt-3 and a molecular weight of 809.85 g/mol. Its IUPAC name is 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-imidazol-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-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
PubChem CID155633401
Molecular FormulaC41H36N5OPt-3
Molecular Weight809.85 g/mol
Exact Mass809.26
IUPAC Name5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-imidazol-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(N5C=CN(C)[CH-]5)ccc4)c4ccccc4-c4ccccc43)[c-]c(Oc3cc(C(C)(C)C)ccn3)n2c1C.[Pt]
InChIInChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(43-27)23-31(25-39(46)47-38-24-29(18-19-42-38)40(3,4)5)41(30-12-11-13-32(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23-24,26H,1-6H3;/q-3;
InChIKeyYBXVEMOPJHEGEN-UHFFFAOYSA-N
XLogP8.74
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.85
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

1-Benzyl-4-[5-methoxy-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-2,3-dihydroinden-1-yl]imidazol-2-amine
CID 44186788
1-Benzyl-4-[1-[[6-(1,1-difluoroethyl)pyridin-3-yl]methyl]-5-methoxy-2,3-dihydroinden-1-yl]imidazol-2-amine
CID 58138224
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
[3-[1-[2,6-Di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)silane;platinum(2+)
CID 145837152
[3-[1-[2,6-Di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;platinum(2+)
CID 145837158
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-phenyl-N-(3-pyridin-2-yloxybenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 145837186
3-[1-(2,6-dimethylphenyl)-2-pyridin-2-yloxyimidazol-4-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)
CID 153423548
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
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-[9-[3-(1H-imidazol-3-ium-3-yl)phenyl]fluoren-9-yl]-6-phenoxypyridine
CID 155614502

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-imidazol-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-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (CID 155633401) is 5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7-[9-[3-(3-methyl-2H-imidazol-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-imidazol-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-imidazol-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(N5C=CN(C)[CH-]5)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-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The InChIKey is YBXVEMOPJHEGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(43-27)23-31(25-39(46)47-38-24-29(18-19-42-38)40(3,4)5)41(30-12-11-13-32(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23-24,26H,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-imidazol-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-imidazol-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 809.85 g/mol, XLogP of 8.74, 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-imidazol-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 155633401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).