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5,5'-Diisopropyl-1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde

HCID 259386
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Basic information

CAS
27864-29-5
Standard SMILES
COc1c(OC)c(C=O)c2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)c(C=O)c4c3OC)c(C)cc2c1C(C)C
InChIKey
UBNXLZMXWUQSCB-UHFFFAOYSA-N
Molecular formula
C36H42O8
Average molar mass
602.7 g/mol
Monoisotopic mass
602.28796829

Names & identifiers

Preferred name
5,5'-Diisopropyl-1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde
IUPAC
7-(8-formyl-1,6,7-trimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trimethoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

Names & synonyms

27864-29-55,5'-diisopropyl-1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehydeNSC89311NSC 89311CHEMBL109986DTXSID10182169UBNXLZMXWUQSCB-UHFFFAOYSA-NBDBM50010442NSC-89311[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexamethoxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-1,1',6,6',7,7'-Hexamethoxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde5,5''-Diisopropyl-1,6,7,1'',6'',7''-hexamethoxy-3,3''-dimethyl-[2,2'']binaphthalenyl-8,8''-dicarbaldehyde
Show more names
7-(8-formyl-5-isopropyl-1,6,7-trimethoxy-3-methyl-2-naphthyl)-4-isopropyl-2,3,8-trimethoxy-6-methyl-naphthalene-1-carbaldehyde

Database identifiers

CAS
27864-29-5
PubChem CID
259386
DTXSID

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
89.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
44
Formal charge
0
Complexity
867

Related reactions

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Compound notes

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DTXSID10182169
ChEMBL
CHEMBL109986
Nikkaji
J448.802D