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

C32H30N+ — CID 71579894

IUPACtrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium
SMILESC[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1
InChIInChI=1S/C32H30N/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/q+1
InChIKeyFKZSYPJDZWGYCC-UHFFFAOYSA-N
MW428.60 g/mol
LogP8.05
Rot. Bonds5

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

trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium (PubChem CID 71579894) has the molecular formula C32H30N+ and a molecular weight of 428.60 g/mol. Its IUPAC name is trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium
PubChem CID71579894
Molecular FormulaC32H30N+
Molecular Weight428.60 g/mol
Exact Mass428.24
IUPAC Nametrimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium
SMILESC[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1
InChIInChI=1S/C32H30N/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/q+1
InChIKeyFKZSYPJDZWGYCC-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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?
The IUPAC name of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium (CID 71579894) is trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium.
What is the SMILES notation for trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium?
The canonical SMILES for trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium is C[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.
What is the InChIKey of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium?
The InChIKey is FKZSYPJDZWGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N/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/q+1.
What are the key properties of trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium?
trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium has a molecular weight of 428.60 g/mol, XLogP of 8.05, 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 is sourced from PubChem (CID 71579894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).