5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine

C40H50I2N6O4 — CID 161425693

IUPAC5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
SMILESCN(C)c1ccc(/C=N/C(C)(C)C/N=C/c2ccccc2O)c(O)c1.CN(C)c1ccc(/C=N/CC(C)(C)/N=C/c2ccccc2O)c(O)c1.II
InChIInChI=1S/2C20H25N3O2.I2/c1-20(2,22-13-15-7-5-6-8-18(15)24)14-21-12-16-9-10-17(23(3)4)11-19(16)25;1-20(2,14-21-12-15-7-5-6-8-18(15)24)22-13-16-9-10-17(23(3)4)11-19(16)25;1-2/h2*5-13,24-25H,14H2,1-4H3;/b2*21-12+,22-13+;
InChIKeyVXIDZKIMBVSSDX-FKNIVHDNSA-N
MW932.69 g/mol
LogP8.73
Rot. Bonds12

About 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine

5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine (PubChem CID 161425693) has the molecular formula C40H50I2N6O4 and a molecular weight of 932.69 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine.

Molecular Properties

Compound Name5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
PubChem CID161425693
Molecular FormulaC40H50I2N6O4
Molecular Weight932.69 g/mol
Exact Mass932.20
IUPAC Name5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
SMILESCN(C)c1ccc(/C=N/C(C)(C)C/N=C/c2ccccc2O)c(O)c1.CN(C)c1ccc(/C=N/CC(C)(C)/N=C/c2ccccc2O)c(O)c1.II
InChIInChI=1S/2C20H25N3O2.I2/c1-20(2,22-13-15-7-5-6-8-18(15)24)14-21-12-16-9-10-17(23(3)4)11-19(16)25;1-20(2,14-21-12-15-7-5-6-8-18(15)24)22-13-16-9-10-17(23(3)4)11-19(16)25;1-2/h2*5-13,24-25H,14H2,1-4H3;/b2*21-12+,22-13+;
InChIKeyVXIDZKIMBVSSDX-FKNIVHDNSA-N
XLogP8.73
TPSA136.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.69
LogP ≤ 58.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine?
The IUPAC name of 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine (CID 161425693) is 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine.
What is the SMILES notation for 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine?
The canonical SMILES for 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine is CN(C)c1ccc(/C=N/C(C)(C)C/N=C/c2ccccc2O)c(O)c1.CN(C)c1ccc(/C=N/CC(C)(C)/N=C/c2ccccc2O)c(O)c1.II.
What is the InChIKey of 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine?
The InChIKey is VXIDZKIMBVSSDX-FKNIVHDNSA-N. The full InChI is InChI=1S/2C20H25N3O2.I2/c1-20(2,22-13-15-7-5-6-8-18(15)24)14-21-12-16-9-10-17(23(3)4)11-19(16)25;1-20(2,14-21-12-15-7-5-6-8-18(15)24)22-13-16-9-10-17(23(3)4)11-19(16)25;1-2/h2*5-13,24-25H,14H2,1-4H3;/b2*21-12+,22-13+;.
What are the key properties of 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine?
5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine has a molecular weight of 932.69 g/mol, XLogP of 8.73, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine is sourced from PubChem (CID 161425693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).