bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine

C48H42F6N8Os — CID 140775477

IUPACbis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
SMILESCC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.CC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C19H17F3N3.C10H8N2.Os/c2*1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*3-7,9-12H,8H2,1-2H3;1-8H;/q2*-1;;+2
InChIKeyBYLJCMKXPIQDSK-UHFFFAOYSA-N
MW1035.14 g/mol
LogP12.11
Rot. Bonds9

About bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine

bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine (PubChem CID 140775477) has the molecular formula C48H42F6N8Os and a molecular weight of 1035.14 g/mol. Its IUPAC name is bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
PubChem CID140775477
Molecular FormulaC48H42F6N8Os
Molecular Weight1035.14 g/mol
Exact Mass1036.31
IUPAC Namebis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
SMILESCC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.CC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C19H17F3N3.C10H8N2.Os/c2*1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*3-7,9-12H,8H2,1-2H3;1-8H;/q2*-1;;+2
InChIKeyBYLJCMKXPIQDSK-UHFFFAOYSA-N
XLogP12.11
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.14
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
CID 168338734
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine (CID 140775477) is bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine is CC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.CC(C)Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.[Os+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
The InChIKey is BYLJCMKXPIQDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17F3N3.C10H8N2.Os/c2*1-12(2)8-14-9-16(17-10-18(25-24-17)19(20,21)22)23-11-15(14)13-6-4-3-5-7-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*3-7,9-12H,8H2,1-2H3;1-8H;/q2*-1;;+2.
What are the key properties of bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine?
bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine has a molecular weight of 1035.14 g/mol, XLogP of 12.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 140775477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).