4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde

C32H26O6 — CID 101191767

IUPAC4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
SMILESCOc1cc2c(-c3ccc(C=O)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(C=O)cc3)c2cc1OC
InChIInChI=1S/C32H26O6/c1-35-27-13-23-24(14-28(27)36-2)32(22-11-7-20(18-34)8-12-22)26-16-30(38-4)29(37-3)15-25(26)31(23)21-9-5-19(17-33)6-10-21/h5-18H,1-4H3
InChIKeyDZFOIAMYBIBJHV-UHFFFAOYSA-N
MW506.55 g/mol
LogP6.99
Rot. Bonds8

About 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde

4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde (PubChem CID 101191767) has the molecular formula C32H26O6 and a molecular weight of 506.55 g/mol. Its IUPAC name is 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
PubChem CID101191767
Molecular FormulaC32H26O6
Molecular Weight506.55 g/mol
Exact Mass506.17
IUPAC Name4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
SMILESCOc1cc2c(-c3ccc(C=O)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(C=O)cc3)c2cc1OC
InChIInChI=1S/C32H26O6/c1-35-27-13-23-24(14-28(27)36-2)32(22-11-7-20(18-34)8-12-22)26-16-30(38-4)29(37-3)15-25(26)31(23)21-9-5-19(17-33)6-10-21/h5-18H,1-4H3
InChIKeyDZFOIAMYBIBJHV-UHFFFAOYSA-N
XLogP6.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
CID 58544493
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde
CID 11271183
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
CID 157022323

Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde?
The IUPAC name of 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde (CID 101191767) is 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde.
What is the SMILES notation for 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde?
The canonical SMILES for 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde is COc1cc2c(-c3ccc(C=O)cc3)c3cc(OC)c(OC)cc3c(-c3ccc(C=O)cc3)c2cc1OC.
What is the InChIKey of 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde?
The InChIKey is DZFOIAMYBIBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O6/c1-35-27-13-23-24(14-28(27)36-2)32(22-11-7-20(18-34)8-12-22)26-16-30(38-4)29(37-3)15-25(26)31(23)21-9-5-19(17-33)6-10-21/h5-18H,1-4H3.
What are the key properties of 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde?
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde has a molecular weight of 506.55 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde is sourced from PubChem (CID 101191767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).