N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum

C28H25N2O2Pt- — CID 139253832

IUPACN,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.[Pt].[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/C23H17N2.C5H8O2.Pt/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)22-16-14-19(15-17-22)23-13-7-8-18-24-23;1-4(6)3-5(2)7;/h1-14,16-18H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyKUMVRIJEZHYIDQ-LWFKIUJUSA-N
MW616.60 g/mol
LogP7.05
Rot. Bonds5

About N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum

N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 139253832) has the molecular formula C28H25N2O2Pt- and a molecular weight of 616.60 g/mol. Its IUPAC name is N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

Compound NameN,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
PubChem CID139253832
Molecular FormulaC28H25N2O2Pt-
Molecular Weight616.60 g/mol
Exact Mass616.16
IUPAC NameN,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.[Pt].[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccn1
InChIInChI=1S/C23H17N2.C5H8O2.Pt/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)22-16-14-19(15-17-22)23-13-7-8-18-24-23;1-4(6)3-5(2)7;/h1-14,16-18H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyKUMVRIJEZHYIDQ-LWFKIUJUSA-N
XLogP7.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.60
LogP ≤ 57.05
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

(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
CID 2132479
Uhlmt-72
CID 6518906
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-iodo-3-pyridinyl)penta-1,4-dien-3-one
CID 52937235
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 52937236
3-ethyl-1-phenyl-4-hydroxy-2(1H)-3',6-bipyridin-2-one
CID 54688734
4-hydroxy-3-ethyl-1-phenyl-2(1H)-4',6-bipyridin-2-one
CID 54708986
(1E,4E)-1-(6-methyl-2-pyridinyl)-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 145977584
1-Phenyl-5-pyridin-2-ylpyridin-2-one
CID 20872595
Bis[2-(2-pyridinyl-N)phenyl-C](2,4-pentanedionato-O2,O4)iridium(III)
CID 50878548
(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one
CID 155555038
(3Z,5E)-1-(Propan-2-YL)-3,5-bis[(pyridin-2-YL)methylidene]piperidin-4-one
CID 5801209
1-benzyl-2-methyl-3-[(E)-2-pyridin-2-ylethenyl]pyridin-4-one
CID 44422632

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The IUPAC name of N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 139253832) is N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum.
What is the SMILES notation for N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The canonical SMILES for N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.[Pt].[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccn1.
What is the InChIKey of N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum?
The InChIKey is KUMVRIJEZHYIDQ-LWFKIUJUSA-N. The full InChI is InChI=1S/C23H17N2.C5H8O2.Pt/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)22-16-14-19(15-17-22)23-13-7-8-18-24-23;1-4(6)3-5(2)7;/h1-14,16-18H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum?
N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 616.60 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-pyridin-2-ylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 139253832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).