10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide

C22H20IN — CID 175144014

IUPAC10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
SMILESCN1c2ccccc2C(/C=C/c2ccccc2)c2ccccc21.I
InChIInChI=1S/C22H19N.HI/c1-23-21-13-7-5-11-19(21)18(20-12-6-8-14-22(20)23)16-15-17-9-3-2-4-10-17;/h2-16,18H,1H3;1H/b16-15+;
InChIKeyDRHZUYJTPKWSHT-GEEYTBSJSA-N
MW425.31 g/mol
LogP6.23
Rot. Bonds2

About 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide

10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide (PubChem CID 175144014) has the molecular formula C22H20IN and a molecular weight of 425.31 g/mol. Its IUPAC name is 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide.

Molecular Properties

Compound Name10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
PubChem CID175144014
Molecular FormulaC22H20IN
Molecular Weight425.31 g/mol
Exact Mass425.06
IUPAC Name10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
SMILESCN1c2ccccc2C(/C=C/c2ccccc2)c2ccccc21.I
InChIInChI=1S/C22H19N.HI/c1-23-21-13-7-5-11-19(21)18(20-12-6-8-14-22(20)23)16-15-17-9-3-2-4-10-17;/h2-16,18H,1H3;1H/b16-15+;
InChIKeyDRHZUYJTPKWSHT-GEEYTBSJSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 56.23
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 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide?
The IUPAC name of 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide (CID 175144014) is 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide.
What is the SMILES notation for 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide?
The canonical SMILES for 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide is CN1c2ccccc2C(/C=C/c2ccccc2)c2ccccc21.I.
What is the InChIKey of 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide?
The InChIKey is DRHZUYJTPKWSHT-GEEYTBSJSA-N. The full InChI is InChI=1S/C22H19N.HI/c1-23-21-13-7-5-11-19(21)18(20-12-6-8-14-22(20)23)16-15-17-9-3-2-4-10-17;/h2-16,18H,1H3;1H/b16-15+;.
What are the key properties of 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide?
10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide is sourced from PubChem (CID 175144014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).