(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum

C30H26F3N2O2Pt- — CID 58401291

IUPAC(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C25H18F3N2.C5H8O2.Pt/c1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-4(6)3-5(2)7;/h2-15,17H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyDHPOEKSCEHBFAU-LWFKIUJUSA-N
MW698.62 g/mol
LogP8.38
Rot. Bonds5

About (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum

(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum (PubChem CID 58401291) has the molecular formula C30H26F3N2O2Pt- and a molecular weight of 698.62 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum
PubChem CID58401291
Molecular FormulaC30H26F3N2O2Pt-
Molecular Weight698.62 g/mol
Exact Mass698.16
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C25H18F3N2.C5H8O2.Pt/c1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-4(6)3-5(2)7;/h2-15,17H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyDHPOEKSCEHBFAU-LWFKIUJUSA-N
XLogP8.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.62
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis[2-(2-pyridinyl-N)phenyl-C](2,4-pentanedionato-O2,O4)iridium(III)
CID 50878548
2-(4-fluorobenzene-6-id-1-yl)pyridine;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;iridium
CID 23527819
2-[difluoro(phenyl)methyl]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57739227
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57872715
2-[3,5-bis(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57872719
(Z)-4-hydroxypent-3-en-2-one;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum
CID 57872773
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
CID 57872796
(Z)-4-hydroxypent-3-en-2-one;2-(2-phenylbenzene-6-id-1-yl)-3-(trifluoromethyl)pyridine;platinum
CID 57872960
9-[2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873106
N,N-dimethyl-2-[3-(trifluoromethyl)benzene-2-id-1-yl]pyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873143
N,N-dimethyl-2-[3-phenyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873206
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873284

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum (CID 58401291) is (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum is CC(=O)/C=C(/C)O.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[Pt].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum?
The InChIKey is DHPOEKSCEHBFAU-LWFKIUJUSA-N. The full InChI is InChI=1S/C25H18F3N2.C5H8O2.Pt/c1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-4(6)3-5(2)7;/h2-15,17H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum?
(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum has a molecular weight of 698.62 g/mol, XLogP of 8.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;platinum is sourced from PubChem (CID 58401291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).