dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate

C18H19Cl2N3O3Pt — CID 140936592

IUPACdichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate
SMILESCl[Pt]Cl.NCC(N)C(=O)OCCNc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C18H19N3O3.2ClH.Pt/c19-10-13(20)18(23)24-9-8-21-14-6-4-11-2-1-3-12-5-7-15(22)17(14)16(11)12;;;/h1-7,13,21H,8-10,19-20H2;2*1H;/q;;;+2/p-2
InChIKeySYVDFRMEOIGDKC-UHFFFAOYSA-L
MW591.35 g/mol
LogP2.67
Rot. Bonds6

About dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate

dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate (PubChem CID 140936592) has the molecular formula C18H19Cl2N3O3Pt and a molecular weight of 591.35 g/mol. Its IUPAC name is dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate.

Molecular Properties

Compound Namedichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate
PubChem CID140936592
Molecular FormulaC18H19Cl2N3O3Pt
Molecular Weight591.35 g/mol
Exact Mass590.05
IUPAC Namedichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate
SMILESCl[Pt]Cl.NCC(N)C(=O)OCCNc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C18H19N3O3.2ClH.Pt/c19-10-13(20)18(23)24-9-8-21-14-6-4-11-2-1-3-12-5-7-15(22)17(14)16(11)12;;;/h1-7,13,21H,8-10,19-20H2;2*1H;/q;;;+2/p-2
InChIKeySYVDFRMEOIGDKC-UHFFFAOYSA-L
XLogP2.67
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate with MolForge

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Related Compounds

9-(3-methylbutylamino)phenalen-1-one
CID 129048800
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(9-oxophenalen-1-yl)amino]ethyl]amino]acetate
CID 129048860
[(9-oxophenalen-1-yl)amino]methyl formate
CID 140936624
9-azidophenalen-1-one
CID 21143079
9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)
CID 11556750
9-[2-[2-[[(3R,10S,13S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethylamino]phenalen-1-one
CID 129048810
azane;phenalen-1-one
CID 175328338
CID 172523363
CID 172523363
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
acenaphthylene-3-carboxamide
CID 148788152
2-[[4,8-dihydroxy-9,10-dioxo-5-(2-prop-2-enoyloxyethylamino)anthracen-1-yl]amino]ethyl prop-2-enoate
CID 54442571
8-(2-aminoethylamino)naphthalene-1-thiol
CID 145045793

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate?
The IUPAC name of dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate (CID 140936592) is dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate.
What is the SMILES notation for dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate?
The canonical SMILES for dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate is Cl[Pt]Cl.NCC(N)C(=O)OCCNc1ccc2cccc3c2c1C(=O)C=C3.
What is the InChIKey of dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate?
The InChIKey is SYVDFRMEOIGDKC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H19N3O3.2ClH.Pt/c19-10-13(20)18(23)24-9-8-21-14-6-4-11-2-1-3-12-5-7-15(22)17(14)16(11)12;;;/h1-7,13,21H,8-10,19-20H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate?
dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate has a molecular weight of 591.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;2-[(9-oxophenalen-1-yl)amino]ethyl 2,3-diaminopropanoate is sourced from PubChem (CID 140936592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).