[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide

C29H32IN — CID 71579798

IUPAC[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
SMILESCC(C)(C)c1ccc(-c2cccc3cc(-c4ccc([N+](C)(C)C)cc4)ccc23)cc1.[I-]
InChIInChI=1S/C29H32N.HI/c1-29(2,3)25-15-10-22(11-16-25)27-9-7-8-24-20-23(14-19-28(24)27)21-12-17-26(18-13-21)30(4,5)6;/h7-20H,1-6H3;1H/q+1;/p-1
InChIKeyCZGALOXOMSLPPV-UHFFFAOYSA-M
MW521.49 g/mol
LogP4.67
Rot. Bonds3

About [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide

[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide (PubChem CID 71579798) has the molecular formula C29H32IN and a molecular weight of 521.49 g/mol. Its IUPAC name is [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
PubChem CID71579798
Molecular FormulaC29H32IN
Molecular Weight521.49 g/mol
Exact Mass521.16
IUPAC Name[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
SMILESCC(C)(C)c1ccc(-c2cccc3cc(-c4ccc([N+](C)(C)C)cc4)ccc23)cc1.[I-]
InChIInChI=1S/C29H32N.HI/c1-29(2,3)25-15-10-22(11-16-25)27-9-7-8-24-20-23(14-19-28(24)27)21-12-17-26(18-13-21)30(4,5)6;/h7-20H,1-6H3;1H/q+1;/p-1
InChIKeyCZGALOXOMSLPPV-UHFFFAOYSA-M
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.49
LogP ≤ 54.67
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-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
CID 71579983
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
4-[5-(4-tert-butylphenyl)naphthalen-2-yl]-3-(2-methylpropyl)benzoic acid
CID 118296817
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130
trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium iodide
CID 71579893
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The IUPAC name of [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide (CID 71579798) is [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide.
What is the SMILES notation for [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The canonical SMILES for [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide is CC(C)(C)c1ccc(-c2cccc3cc(-c4ccc([N+](C)(C)C)cc4)ccc23)cc1.[I-].
What is the InChIKey of [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The InChIKey is CZGALOXOMSLPPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H32N.HI/c1-29(2,3)25-15-10-22(11-16-25)27-9-7-8-24-20-23(14-19-28(24)27)21-12-17-26(18-13-21)30(4,5)6;/h7-20H,1-6H3;1H/q+1;/p-1.
What are the key properties of [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide has a molecular weight of 521.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide is sourced from PubChem (CID 71579798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).