2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde

C24H20O — CID 101108886

IUPAC2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
SMILESCc1c(-c2ccc3ccccc3c2C=O)c(C)c2ccccc2c1C
InChIInChI=1S/C24H20O/c1-15-16(2)24(17(3)20-10-7-6-9-19(15)20)22-13-12-18-8-4-5-11-21(18)23(22)14-25/h4-14H,1-3H3
InChIKeyZVHQIYRGXLIIRG-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.40
Rot. Bonds2

About 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde

2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde (PubChem CID 101108886) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
PubChem CID101108886
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
SMILESCc1c(-c2ccc3ccccc3c2C=O)c(C)c2ccccc2c1C
InChIInChI=1S/C24H20O/c1-15-16(2)24(17(3)20-10-7-6-9-19(15)20)22-13-12-18-8-4-5-11-21(18)23(22)14-25/h4-14H,1-3H3
InChIKeyZVHQIYRGXLIIRG-UHFFFAOYSA-N
XLogP6.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.40
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-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde (CID 101108886) is 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde is Cc1c(-c2ccc3ccccc3c2C=O)c(C)c2ccccc2c1C.
What is the InChIKey of 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The InChIKey is ZVHQIYRGXLIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-15-16(2)24(17(3)20-10-7-6-9-19(15)20)22-13-12-18-8-4-5-11-21(18)23(22)14-25/h4-14H,1-3H3.
What are the key properties of 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde has a molecular weight of 324.42 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 101108886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).