trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide

C20H22IN — CID 175857721

IUPACtrimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)ccc2ccccc12.[I-]
InChIInChI=1S/C20H22N.HI/c1-21(2,3)15-20-18-12-8-7-11-17(18)13-14-19(20)16-9-5-4-6-10-16;/h4-14H,15H2,1-3H3;1H/q+1;/p-1
InChIKeyKBWMFDWXOUWCPO-UHFFFAOYSA-M
MW403.31 g/mol
LogP1.72
Rot. Bonds3

About trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide

trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide (PubChem CID 175857721) has the molecular formula C20H22IN and a molecular weight of 403.31 g/mol. Its IUPAC name is trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
PubChem CID175857721
Molecular FormulaC20H22IN
Molecular Weight403.31 g/mol
Exact Mass403.08
IUPAC Nametrimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)ccc2ccccc12.[I-]
InChIInChI=1S/C20H22N.HI/c1-21(2,3)15-20-18-12-8-7-11-17(18)13-14-19(20)16-9-5-4-6-10-16;/h4-14H,15H2,1-3H3;1H/q+1;/p-1
InChIKeyKBWMFDWXOUWCPO-UHFFFAOYSA-M
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
1,2-diphenylnaphthalene
CID 11208267
1-bromo-2-phenylnaphthalene
CID 10956972
2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
CID 68507510
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672
phenanthrene;sulfane
CID 159172584
2-phenyl-1-(2-phenylphenanthren-1-yl)sulfanylphenanthrene
CID 152627855

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide?
The IUPAC name of trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide (CID 175857721) is trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide.
What is the SMILES notation for trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide?
The canonical SMILES for trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide is C[N+](C)(C)Cc1c(-c2ccccc2)ccc2ccccc12.[I-].
What is the InChIKey of trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide?
The InChIKey is KBWMFDWXOUWCPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N.HI/c1-21(2,3)15-20-18-12-8-7-11-17(18)13-14-19(20)16-9-5-4-6-10-16;/h4-14H,15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide?
trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide has a molecular weight of 403.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide is sourced from PubChem (CID 175857721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).