4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal

C28H26O — CID 25270355

IUPAC4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal
SMILESCC(C)(CCC=O)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H26O/c1-28(2,18-11-19-29)26-20-25(21-12-5-3-6-13-21)23-16-9-10-17-24(23)27(26)22-14-7-4-8-15-22/h3-10,12-17,19-20H,11,18H2,1-2H3
InChIKeyDYNIKMSNSCFHLG-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.43
Rot. Bonds6

About 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal

4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal (PubChem CID 25270355) has the molecular formula C28H26O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal.

Molecular Properties

Compound Name4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal
PubChem CID25270355
Molecular FormulaC28H26O
Molecular Weight378.52 g/mol
Exact Mass378.20
IUPAC Name4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal
SMILESCC(C)(CCC=O)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H26O/c1-28(2,18-11-19-29)26-20-25(21-12-5-3-6-13-21)23-16-9-10-17-24(23)27(26)22-14-7-4-8-15-22/h3-10,12-17,19-20H,11,18H2,1-2H3
InChIKeyDYNIKMSNSCFHLG-UHFFFAOYSA-N
XLogP7.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.43
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

2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
CID 176866137
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
4-bromo-N-methyl-2-phenylaniline;butanal
CID 156801590
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol
CID 140906727
1-(4-bromo-2-methylbutan-2-yl)-4-fluoronaphthalene
CID 79838304
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
9-[1,4-bis(4-methoxyphenyl)naphthalen-2-yl]heptadecan-9-ol
CID 20754144
3-methyl-3-phenylbutanal;4-phenyl-3-(2-phenylpropan-2-yl)-8-(trifluoromethyl)quinoline
CID 158622343

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal?
The IUPAC name of 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal (CID 25270355) is 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal.
What is the SMILES notation for 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal?
The canonical SMILES for 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal is CC(C)(CCC=O)c1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal?
The InChIKey is DYNIKMSNSCFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O/c1-28(2,18-11-19-29)26-20-25(21-12-5-3-6-13-21)23-16-9-10-17-24(23)27(26)22-14-7-4-8-15-22/h3-10,12-17,19-20H,11,18H2,1-2H3.
What are the key properties of 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal?
4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal has a molecular weight of 378.52 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diphenylnaphthalen-2-yl)-4-methylpentanal is sourced from PubChem (CID 25270355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).