bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine

C26H34MnN4O4 — CID 155655037

IUPACbis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CN(C)c1ccnc2c1ccc1c(N(C)C)ccnc12.[Mn]
InChIInChI=1S/C16H18N4.2C5H8O2.Mn/c1-19(2)13-7-9-17-15-11(13)5-6-12-14(20(3)4)8-10-18-16(12)15;2*1-4(6)3-5(2)7;/h5-10H,1-4H3;2*3,6H,1-2H3;/b;2*4-3-;
InChIKeyRFINBDPQOWLYGN-QDMRRLORSA-N
MW521.52 g/mol
LogP4.99
Rot. Bonds4

About bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine

bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine (PubChem CID 155655037) has the molecular formula C26H34MnN4O4 and a molecular weight of 521.52 g/mol. Its IUPAC name is bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine.

Molecular Properties

Compound Namebis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine
PubChem CID155655037
Molecular FormulaC26H34MnN4O4
Molecular Weight521.52 g/mol
Exact Mass521.20
IUPAC Namebis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CN(C)c1ccnc2c1ccc1c(N(C)C)ccnc12.[Mn]
InChIInChI=1S/C16H18N4.2C5H8O2.Mn/c1-19(2)13-7-9-17-15-11(13)5-6-12-14(20(3)4)8-10-18-16(12)15;2*1-4(6)3-5(2)7;/h5-10H,1-4H3;2*3,6H,1-2H3;/b;2*4-3-;
InChIKeyRFINBDPQOWLYGN-QDMRRLORSA-N
XLogP4.99
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
CID 71311349
4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
4-hydroxypent-3-en-2-one;iridium;bis(7-N,7-N,10-N,10-N-tetraphenyl-5H-phenanthro[9,10-b]pyrazin-5-ide-7,10-diamine)
CID 161348863
alumane;(Z)-4-hydroxypent-3-en-2-one;manganese
CID 173263428
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
CID 10892468
CID 10892468
CID 6826582
CID 6826582
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine?
The IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine (CID 155655037) is bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine.
What is the SMILES notation for bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine?
The canonical SMILES for bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CN(C)c1ccnc2c1ccc1c(N(C)C)ccnc12.[Mn].
What is the InChIKey of bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine?
The InChIKey is RFINBDPQOWLYGN-QDMRRLORSA-N. The full InChI is InChI=1S/C16H18N4.2C5H8O2.Mn/c1-19(2)13-7-9-17-15-11(13)5-6-12-14(20(3)4)8-10-18-16(12)15;2*1-4(6)3-5(2)7;/h5-10H,1-4H3;2*3,6H,1-2H3;/b;2*4-3-;.
What are the key properties of bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine?
bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine has a molecular weight of 521.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-hydroxypent-3-en-2-one);manganese;4-N,4-N,7-N,7-N-tetramethyl-1,10-phenanthroline-4,7-diamine is sourced from PubChem (CID 155655037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).