4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)

C32H26N8O2 — CID 139175982

IUPAC4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)
SMILESNC1=N/C(=N\c2cc(/N=C3\N=C(N)c4ccccc43)c(O)cc2O)c2ccccc21.c1ccncc1.c1ccncc1
InChIInChI=1S/C22H16N6O2.2C5H5N/c23-19-11-5-1-3-7-13(11)21(27-19)25-15-9-16(18(30)10-17(15)29)26-22-14-8-4-2-6-12(14)20(24)28-22;2*1-2-4-6-5-3-1/h1-10,29-30H,(H2,23,25,27)(H2,24,26,28);2*1-5H
InChIKeyVTGLXSMFJYDRAY-UHFFFAOYSA-N
MW554.61 g/mol
LogP4.86
Rot. Bonds2

About 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)

4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine) (PubChem CID 139175982) has the molecular formula C32H26N8O2 and a molecular weight of 554.61 g/mol. Its IUPAC name is 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine).

Molecular Properties

Compound Name4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)
PubChem CID139175982
Molecular FormulaC32H26N8O2
Molecular Weight554.61 g/mol
Exact Mass554.22
IUPAC Name4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)
SMILESNC1=N/C(=N\c2cc(/N=C3\N=C(N)c4ccccc43)c(O)cc2O)c2ccccc21.c1ccncc1.c1ccncc1
InChIInChI=1S/C22H16N6O2.2C5H5N/c23-19-11-5-1-3-7-13(11)21(27-19)25-15-9-16(18(30)10-17(15)29)26-22-14-8-4-2-6-12(14)20(24)28-22;2*1-2-4-6-5-3-1/h1-10,29-30H,(H2,23,25,27)(H2,24,26,28);2*1-5H
InChIKeyVTGLXSMFJYDRAY-UHFFFAOYSA-N
XLogP4.86
TPSA167.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.61
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(3-aminoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-amine
CID 13090123
3-(2-methoxyphenyl)iminoisoindol-1-amine
CID 2312220
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
(3-aminoisoindol-1-ylidene)azanium
CID 40544635
aniline;2,3-dimethylbut-2-ene;ethane;pyridine
CID 123663705
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
naphthalen-1-ol;pyridine
CID 160876082
3-iminoisoindol-1-amine
CID 139180243
2-amino-3-pyridin-4-ylphenol
CID 20564334
boric acid;pyridine;1,2,2-triphenylethenylbenzene
CID 158859997
1,5-diazecine
CID 53440348

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)?
The IUPAC name of 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine) (CID 139175982) is 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine).
What is the SMILES notation for 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)?
The canonical SMILES for 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine) is NC1=N/C(=N\c2cc(/N=C3\N=C(N)c4ccccc43)c(O)cc2O)c2ccccc21.c1ccncc1.c1ccncc1.
What is the InChIKey of 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)?
The InChIKey is VTGLXSMFJYDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2.2C5H5N/c23-19-11-5-1-3-7-13(11)21(27-19)25-15-9-16(18(30)10-17(15)29)26-22-14-8-4-2-6-12(14)20(24)28-22;2*1-2-4-6-5-3-1/h1-10,29-30H,(H2,23,25,27)(H2,24,26,28);2*1-5H.
What are the key properties of 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)?
4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine) has a molecular weight of 554.61 g/mol, XLogP of 4.86, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine) is sourced from PubChem (CID 139175982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).