trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide

C32H30IN — CID 71579893

IUPACtrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide
SMILESC[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-]
InChIInChI=1S/C32H30N.HI/c1-33(2,3)23-24-10-7-13-26(20-24)28-18-19-32-30(22-28)16-9-17-31(32)29-15-8-14-27(21-29)25-11-5-4-6-12-25;/h4-22H,23H2,1-3H3;1H/q+1;/p-1
InChIKeyGPDISMFXQGKXSX-UHFFFAOYSA-M
MW555.50 g/mol
LogP5.05
Rot. Bonds5

About trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide

trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide (PubChem CID 71579893) has the molecular formula C32H30IN and a molecular weight of 555.50 g/mol. Its IUPAC name is trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide
PubChem CID71579893
Molecular FormulaC32H30IN
Molecular Weight555.50 g/mol
Exact Mass555.14
IUPAC Nametrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide
SMILESC[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-]
InChIInChI=1S/C32H30N.HI/c1-33(2,3)23-24-10-7-13-26(20-24)28-18-19-32-30(22-28)16-9-17-31(32)29-15-8-14-27(21-29)25-11-5-4-6-12-25;/h4-22H,23H2,1-3H3;1H/q+1;/p-1
InChIKeyGPDISMFXQGKXSX-UHFFFAOYSA-M
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 55.05
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide?
The IUPAC name of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide (CID 71579893) is trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide.
What is the SMILES notation for trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide?
The canonical SMILES for trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide is C[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-].
What is the InChIKey of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide?
The InChIKey is GPDISMFXQGKXSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H30N.HI/c1-33(2,3)23-24-10-7-13-26(20-24)28-18-19-32-30(22-28)16-9-17-31(32)29-15-8-14-27(21-29)25-11-5-4-6-12-25;/h4-22H,23H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide?
trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide has a molecular weight of 555.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide is sourced from PubChem (CID 71579893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).