1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide

C19H22IN — CID 70038189

IUPAC1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide
SMILESC=C1c2c(C)ccc(C)c2C(C)(C)N1c1ccccc1.I
InChIInChI=1S/C19H21N.HI/c1-13-11-12-14(2)18-17(13)15(3)20(19(18,4)5)16-9-7-6-8-10-16;/h6-12H,3H2,1-2,4-5H3;1H
InChIKeyQPLMFHMJDUANEN-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.65
Rot. Bonds1

About 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide

1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide (PubChem CID 70038189) has the molecular formula C19H22IN and a molecular weight of 391.30 g/mol. Its IUPAC name is 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide.

Molecular Properties

Compound Name1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide
PubChem CID70038189
Molecular FormulaC19H22IN
Molecular Weight391.30 g/mol
Exact Mass391.08
IUPAC Name1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide
SMILESC=C1c2c(C)ccc(C)c2C(C)(C)N1c1ccccc1.I
InChIInChI=1S/C19H21N.HI/c1-13-11-12-14(2)18-17(13)15(3)20(19(18,4)5)16-9-7-6-8-10-16;/h6-12H,3H2,1-2,4-5H3;1H
InChIKeyQPLMFHMJDUANEN-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide?
The IUPAC name of 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide (CID 70038189) is 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide.
What is the SMILES notation for 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide?
The canonical SMILES for 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide is C=C1c2c(C)ccc(C)c2C(C)(C)N1c1ccccc1.I.
What is the InChIKey of 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide?
The InChIKey is QPLMFHMJDUANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.HI/c1-13-11-12-14(2)18-17(13)15(3)20(19(18,4)5)16-9-7-6-8-10-16;/h6-12H,3H2,1-2,4-5H3;1H.
What are the key properties of 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide?
1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,7-tetramethyl-3-methylidene-2-phenylisoindole;hydroiodide is sourced from PubChem (CID 70038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).