4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide

C34H42N2O3Pt — CID 139135668

IUPAC4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide
SMILESC1CCOC1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[O-]c1ccccc1.[O-]c1ccccc1.[Pt+2]
InChIInChI=1S/C18H24N2.2C6H6O.C4H8O.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h7-12H,1-6H3;2*1-5,7H;1-4H2;/q;;;;+2/p-2
InChIKeyKCOIFMCNUMQISE-UHFFFAOYSA-L
MW721.80 g/mol
LogP7.05
Rot. Bonds1

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide (PubChem CID 139135668) has the molecular formula C34H42N2O3Pt and a molecular weight of 721.80 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide
PubChem CID139135668
Molecular FormulaC34H42N2O3Pt
Molecular Weight721.80 g/mol
Exact Mass721.28
IUPAC Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide
SMILESC1CCOC1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[O-]c1ccccc1.[O-]c1ccccc1.[Pt+2]
InChIInChI=1S/C18H24N2.2C6H6O.C4H8O.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h7-12H,1-6H3;2*1-5,7H;1-4H2;/q;;;;+2/p-2
InChIKeyKCOIFMCNUMQISE-UHFFFAOYSA-L
XLogP7.05
TPSA81.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.80
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-Bis(4-methoxyphenyl)-9H-cyclopenta[2,1-b:3,4-b']dipyridine
CID 12136024
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 23757815
4,4'-Bis(2-(4-t-butyloxyphenyl)ethenyl)-2,2'-bipyridine
CID 129865799
4-(4-Methoxyphenyl)-2-[4-(4-methoxyphenyl)-2-pyridinyl]pyridine
CID 86206136
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(propan-2-olate);zirconium(4+)
CID 139039285
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;hafnium(4+);bis(propan-2-olate)
CID 139039286
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
Chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
CID 139044462
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;3,5-ditert-butylbenzene-1,2-diolate;nickel(2+)
CID 139047677
2,2'-Bipyridyl-1,1,1-tris(4-hydroxyphenyl)ethane (1/2)
CID 139058543
bis(4-Adamantylphenoxy)-bis(2-pyridylmethoxy)-titanium
CID 139063996

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide (CID 139135668) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide is C1CCOC1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[O-]c1ccccc1.[O-]c1ccccc1.[Pt+2].
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide?
The InChIKey is KCOIFMCNUMQISE-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H24N2.2C6H6O.C4H8O.Pt/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h7-12H,1-6H3;2*1-5,7H;1-4H2;/q;;;;+2/p-2.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide?
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide has a molecular weight of 721.80 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide is sourced from PubChem (CID 139135668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).