anthracene-1,2,3,4-tetracarbaldehyde

C18H10O4 — CID 87124414

IUPACanthracene-1,2,3,4-tetracarbaldehyde
SMILESO=Cc1c(C=O)c(C=O)c2cc3ccccc3cc2c1C=O
InChIInChI=1S/C18H10O4/c19-7-15-13-5-11-3-1-2-4-12(11)6-14(13)16(8-20)18(10-22)17(15)9-21/h1-10H
InChIKeyCXDZAUVCVAJFOJ-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.24
Rot. Bonds4

About anthracene-1,2,3,4-tetracarbaldehyde

anthracene-1,2,3,4-tetracarbaldehyde (PubChem CID 87124414) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is anthracene-1,2,3,4-tetracarbaldehyde.

Molecular Properties

Compound Nameanthracene-1,2,3,4-tetracarbaldehyde
PubChem CID87124414
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Nameanthracene-1,2,3,4-tetracarbaldehyde
SMILESO=Cc1c(C=O)c(C=O)c2cc3ccccc3cc2c1C=O
InChIInChI=1S/C18H10O4/c19-7-15-13-5-11-3-1-2-4-12(11)6-14(13)16(8-20)18(10-22)17(15)9-21/h1-10H
InChIKeyCXDZAUVCVAJFOJ-UHFFFAOYSA-N
XLogP3.24
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,3,4-triformylanthracene-1-carboxylic acid
CID 87124399
tetracene-1,2,3-tricarbaldehyde
CID 87124407
phenanthrene-1,2,3,4-tetracarbaldehyde
CID 87124454
pyrene-1,2,3-tricarbaldehyde
CID 87124347
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841
chrysene-1,2,3-tricarbaldehyde
CID 141144423
cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
2-chloronaphthalene-1-carbaldehyde
CID 19065818
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
1-ethylanthracene;formic acid
CID 175485335
3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749

Frequently Asked Questions

What is the IUPAC name of anthracene-1,2,3,4-tetracarbaldehyde?
The IUPAC name of anthracene-1,2,3,4-tetracarbaldehyde (CID 87124414) is anthracene-1,2,3,4-tetracarbaldehyde.
What is the SMILES notation for anthracene-1,2,3,4-tetracarbaldehyde?
The canonical SMILES for anthracene-1,2,3,4-tetracarbaldehyde is O=Cc1c(C=O)c(C=O)c2cc3ccccc3cc2c1C=O.
What is the InChIKey of anthracene-1,2,3,4-tetracarbaldehyde?
The InChIKey is CXDZAUVCVAJFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-7-15-13-5-11-3-1-2-4-12(11)6-14(13)16(8-20)18(10-22)17(15)9-21/h1-10H.
What are the key properties of anthracene-1,2,3,4-tetracarbaldehyde?
anthracene-1,2,3,4-tetracarbaldehyde has a molecular weight of 290.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,2,3,4-tetracarbaldehyde is sourced from PubChem (CID 87124414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).