[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide

C19H20IN — CID 6444348

IUPAC[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1.[I-]
InChIInChI=1S/C19H20N.HI/c1-20(2,3)18-12-8-15(9-13-18)14-17-11-10-16-6-4-5-7-19(16)17;/h4-14H,1-3H3;1H/q+1;/p-1/b17-14-;
InChIKeyUZKQCKLEUMBKLT-SBBUSYCLSA-M
MW389.28 g/mol
LogP1.45
Rot. Bonds2

About [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide

[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide (PubChem CID 6444348) has the molecular formula C19H20IN and a molecular weight of 389.28 g/mol. Its IUPAC name is [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
PubChem CID6444348
Molecular FormulaC19H20IN
Molecular Weight389.28 g/mol
Exact Mass389.06
IUPAC Name[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1.[I-]
InChIInChI=1S/C19H20N.HI/c1-20(2,3)18-12-8-15(9-13-18)14-17-11-10-16-6-4-5-7-19(16)17;/h4-14H,1-3H3;1H/q+1;/p-1/b17-14-;
InChIKeyUZKQCKLEUMBKLT-SBBUSYCLSA-M
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide?
The IUPAC name of [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide (CID 6444348) is [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide.
What is the SMILES notation for [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide?
The canonical SMILES for [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide is C[N+](C)(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1.[I-].
What is the InChIKey of [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide?
The InChIKey is UZKQCKLEUMBKLT-SBBUSYCLSA-M. The full InChI is InChI=1S/C19H20N.HI/c1-20(2,3)18-12-8-15(9-13-18)14-17-11-10-16-6-4-5-7-19(16)17;/h4-14H,1-3H3;1H/q+1;/p-1/b17-14-;.
What are the key properties of [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide?
[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide has a molecular weight of 389.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide is sourced from PubChem (CID 6444348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).