2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde

C30H32O7 — CID 123872830

IUPAC2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
SMILESCOc1cc2c(OC)c(-c3c(C)cc4c(C=O)c(OC)c(OC)cc4c3OC)c(C)cc2c(C)c1OC
InChIInChI=1S/C30H32O7/c1-15-10-18-17(3)27(34-6)23(32-4)12-20(18)29(36-8)25(15)26-16(2)11-19-21(30(26)37-9)13-24(33-5)28(35-7)22(19)14-31/h10-14H,1-9H3
InChIKeyZZBLUTIKPDYZIX-UHFFFAOYSA-N
MW504.58 g/mol
LogP6.45
Rot. Bonds8

About 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde

2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde (PubChem CID 123872830) has the molecular formula C30H32O7 and a molecular weight of 504.58 g/mol. Its IUPAC name is 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
PubChem CID123872830
Molecular FormulaC30H32O7
Molecular Weight504.58 g/mol
Exact Mass504.21
IUPAC Name2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
SMILESCOc1cc2c(OC)c(-c3c(C)cc4c(C=O)c(OC)c(OC)cc4c3OC)c(C)cc2c(C)c1OC
InChIInChI=1S/C30H32O7/c1-15-10-18-17(3)27(34-6)23(32-4)12-20(18)29(36-8)25(15)26-16(2)11-19-21(30(26)37-9)13-24(33-5)28(35-7)22(19)14-31/h10-14H,1-9H3
InChIKeyZZBLUTIKPDYZIX-UHFFFAOYSA-N
XLogP6.45
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-6,7-dimethoxy-8-methylnaphthalene-2-carbaldehyde
CID 89007750
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
CID 10775498
1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
CID 11750268
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2-(1,3-dimethylnaphthalen-2-yl)-3-methoxynaphthalene-1-carbaldehyde
CID 101108881
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
(E)-3-(2,5-dimethoxy-3,6-dimethylphenyl)prop-2-enoic acid
CID 15125086

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde (CID 123872830) is 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde is COc1cc2c(OC)c(-c3c(C)cc4c(C=O)c(OC)c(OC)cc4c3OC)c(C)cc2c(C)c1OC.
What is the InChIKey of 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
The InChIKey is ZZBLUTIKPDYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O7/c1-15-10-18-17(3)27(34-6)23(32-4)12-20(18)29(36-8)25(15)26-16(2)11-19-21(30(26)37-9)13-24(33-5)28(35-7)22(19)14-31/h10-14H,1-9H3.
What are the key properties of 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde?
2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde has a molecular weight of 504.58 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 123872830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).