(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum

C30H24F3N2O2Pt- — CID 58401259

IUPAC(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C25H16F3N2.C5H8O2.Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-4(6)3-5(2)7;/h2-13,15H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyHKHQAIHPTKDAPI-LWFKIUJUSA-N
MW696.61 g/mol
LogP8.01
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum

(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum (PubChem CID 58401259) has the molecular formula C30H24F3N2O2Pt- and a molecular weight of 696.61 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
PubChem CID58401259
Molecular FormulaC30H24F3N2O2Pt-
Molecular Weight696.61 g/mol
Exact Mass696.14
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C25H16F3N2.C5H8O2.Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-4(6)3-5(2)7;/h2-13,15H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyHKHQAIHPTKDAPI-LWFKIUJUSA-N
XLogP8.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.61
LogP ≤ 58.01
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

2,5-Dimethyl-3-[8-(trifluoromethyl)-4-quinolinyl]-1H-indole-1-acetic acid
CID 10046404
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-pyridinium
CID 2887603
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-3-methyl-pyridinium
CID 12004685
(2,5-difluorophenyl){1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-3-yl}methanone
CID 16191835
(E)-but-2-enedioic acid;N-propyl-N-pyridin-4-ylcarbazol-9-amine
CID 19849778
2-(2,5-dimethyl-3-(6-(trifluoromethyl)quinolin-4-yl)-1H-indol-1-yl)acetic acid
CID 44414775
CB1R agonist PNR-4-20
CID 44434976
(E)-but-2-enedioic acid;1-(2-ethylphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]indole
CID 76310810
(E)-but-2-enedioic acid;3-[(4-phenylpiperazin-1-yl)methyl]-1-[2-(trifluoromethyl)phenyl]indole
CID 76318012
(E)-but-2-enedioic acid;1-(2-methylphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]indole
CID 76325350
(E)-but-2-enedioic acid;1-(2-methylphenyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole
CID 76336176
5-(6-Pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
CID 122186418

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum (CID 58401259) is (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum is CC(=O)/C=C(/C)O.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.[Pt].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The InChIKey is HKHQAIHPTKDAPI-LWFKIUJUSA-N. The full InChI is InChI=1S/C25H16F3N2.C5H8O2.Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-4(6)3-5(2)7;/h2-13,15H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum has a molecular weight of 696.61 g/mol, XLogP of 8.01, 3 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;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum is sourced from PubChem (CID 58401259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).