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

C31H28IN — CID 56595906

IUPACtrimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
SMILESC[N+](C)(C)c1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-]
InChIInChI=1S/C31H28N.HI/c1-32(2,3)29-16-8-13-25(22-29)26-18-19-31-28(21-26)15-9-17-30(31)27-14-7-12-24(20-27)23-10-5-4-6-11-23;/h4-22H,1-3H3;1H/q+1;/p-1
InChIKeyVFVMLDPYHANQSY-UHFFFAOYSA-M
MW541.48 g/mol
LogP5.04
Rot. Bonds4

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

trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide (PubChem CID 56595906) has the molecular formula C31H28IN and a molecular weight of 541.48 g/mol. Its IUPAC name is trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
PubChem CID56595906
Molecular FormulaC31H28IN
Molecular Weight541.48 g/mol
Exact Mass541.13
IUPAC Nametrimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
SMILESC[N+](C)(C)c1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-]
InChIInChI=1S/C31H28N.HI/c1-32(2,3)29-16-8-13-25(22-29)26-18-19-31-28(21-26)15-9-17-30(31)27-14-7-12-24(20-27)23-10-5-4-6-11-23;/h4-22H,1-3H3;1H/q+1;/p-1
InChIKeyVFVMLDPYHANQSY-UHFFFAOYSA-M
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 55.04
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]azanium iodide?
The IUPAC name of trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide (CID 56595906) is trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide.
What is the SMILES notation for trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide?
The canonical SMILES for trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide is C[N+](C)(C)c1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.[I-].
What is the InChIKey of trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide?
The InChIKey is VFVMLDPYHANQSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H28N.HI/c1-32(2,3)29-16-8-13-25(22-29)26-18-19-31-28(21-26)15-9-17-30(31)27-14-7-12-24(20-27)23-10-5-4-6-11-23;/h4-22H,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide?
trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide has a molecular weight of 541.48 g/mol, XLogP of 5.04, 4 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]azanium iodide is sourced from PubChem (CID 56595906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).