2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde

C27H24O — CID 71579983

IUPAC2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
SMILESCC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4C=O)ccc23)cc1
InChIInChI=1S/C27H24O/c1-27(2,3)23-14-11-19(12-15-23)25-10-6-8-20-17-21(13-16-26(20)25)24-9-5-4-7-22(24)18-28/h4-18H,1-3H3
InChIKeyGNPYIIOTIJLCRR-UHFFFAOYSA-N
MW364.49 g/mol
LogP7.28
Rot. Bonds3

About 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde

2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde (PubChem CID 71579983) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
PubChem CID71579983
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Name2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
SMILESCC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4C=O)ccc23)cc1
InChIInChI=1S/C27H24O/c1-27(2,3)23-14-11-19(12-15-23)25-10-6-8-20-17-21(13-16-26(20)25)24-9-5-4-7-22(24)18-28/h4-18H,1-3H3
InChIKeyGNPYIIOTIJLCRR-UHFFFAOYSA-N
XLogP7.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)phenanthrene
CID 160779403
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
CID 71579798
2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
CID 66257438
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
4-[5-(4-tert-butylphenyl)naphthalen-2-yl]-3-(2-methylpropyl)benzoic acid
CID 118296817
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
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
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 170944057
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 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde?
The IUPAC name of 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde (CID 71579983) is 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde.
What is the SMILES notation for 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde?
The canonical SMILES for 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde is CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4C=O)ccc23)cc1.
What is the InChIKey of 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde?
The InChIKey is GNPYIIOTIJLCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O/c1-27(2,3)23-14-11-19(12-15-23)25-10-6-8-20-17-21(13-16-26(20)25)24-9-5-4-7-22(24)18-28/h4-18H,1-3H3.
What are the key properties of 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde?
2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde has a molecular weight of 364.49 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde is sourced from PubChem (CID 71579983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).