2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane

C51H54I3N5O9P4 — CID 158188735

IUPAC2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane
SMILESII.NCCO.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1CCI.O=C1c2ccccc2C(=O)N1CCO.P.PP.c1c[nH]cn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H8INO2.C10H9NO3.C8H4O3.C3H4N2.C2H7NO.I2.H4P2.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-5-3-4-1;3-1-2-4;2*1-2;/h1-15H;1-4H,5-6H2;1-4,12H,5-6H2;1-4H;1-3H,(H,4,5);4H,1-3H2;;1-2H2;1H3
InChIKeyFZLZSLAANGVNOF-UHFFFAOYSA-N
MW1385.63 g/mol
LogP8.26
Rot. Bonds8

About 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane

2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane (PubChem CID 158188735) has the molecular formula C51H54I3N5O9P4 and a molecular weight of 1385.63 g/mol. Its IUPAC name is 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane.

Molecular Properties

Compound Name2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane
PubChem CID158188735
Molecular FormulaC51H54I3N5O9P4
Molecular Weight1385.63 g/mol
Exact Mass1385.00
IUPAC Name2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane
SMILESII.NCCO.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1CCI.O=C1c2ccccc2C(=O)N1CCO.P.PP.c1c[nH]cn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H8INO2.C10H9NO3.C8H4O3.C3H4N2.C2H7NO.I2.H4P2.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-5-3-4-1;3-1-2-4;2*1-2;/h1-15H;1-4H,5-6H2;1-4,12H,5-6H2;1-4H;1-3H,(H,4,5);4H,1-3H2;;1-2H2;1H3
InChIKeyFZLZSLAANGVNOF-UHFFFAOYSA-N
XLogP8.26
TPSA213.29 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.63
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane with MolForge

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Related Compounds

aminomethanol;2-benzofuran-1,3-dione;2-ethylisoindole-1,3-dione;2-(hydroxymethyl)isoindole-1,3-dione;1H-imidazole
CID 159949455

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane?
The IUPAC name of 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane (CID 158188735) is 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane.
What is the SMILES notation for 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane?
The canonical SMILES for 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane is II.NCCO.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1CCI.O=C1c2ccccc2C(=O)N1CCO.P.PP.c1c[nH]cn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane?
The InChIKey is FZLZSLAANGVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C10H8INO2.C10H9NO3.C8H4O3.C3H4N2.C2H7NO.I2.H4P2.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-5-3-4-1;3-1-2-4;2*1-2;/h1-15H;1-4H,5-6H2;1-4,12H,5-6H2;1-4H;1-3H,(H,4,5);4H,1-3H2;;1-2H2;1H3.
What are the key properties of 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane?
2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane has a molecular weight of 1385.63 g/mol, XLogP of 8.26, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-benzofuran-1,3-dione;2-(2-hydroxyethyl)isoindole-1,3-dione;1H-imidazole;2-(2-iodoethyl)isoindole-1,3-dione;molecular iodine;phosphane;phosphanylphosphane;triphenylphosphane is sourced from PubChem (CID 158188735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).