tetracene-1,2,3-tricarbaldehyde

C21H12O3 — CID 87124407

IUPACtetracene-1,2,3-tricarbaldehyde
SMILESO=Cc1cc2cc3cc4ccccc4cc3cc2c(C=O)c1C=O
InChIInChI=1S/C21H12O3/c22-10-18-8-17-7-15-5-13-3-1-2-4-14(13)6-16(15)9-19(17)21(12-24)20(18)11-23/h1-12H
InChIKeySHSCICGYBBGUJR-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.58
Rot. Bonds3

About tetracene-1,2,3-tricarbaldehyde

tetracene-1,2,3-tricarbaldehyde (PubChem CID 87124407) has the molecular formula C21H12O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is tetracene-1,2,3-tricarbaldehyde.

Molecular Properties

Compound Nametetracene-1,2,3-tricarbaldehyde
PubChem CID87124407
Molecular FormulaC21H12O3
Molecular Weight312.32 g/mol
Exact Mass312.08
IUPAC Nametetracene-1,2,3-tricarbaldehyde
SMILESO=Cc1cc2cc3cc4ccccc4cc3cc2c(C=O)c1C=O
InChIInChI=1S/C21H12O3/c22-10-18-8-17-7-15-5-13-3-1-2-4-14(13)6-16(15)9-19(17)21(12-24)20(18)11-23/h1-12H
InChIKeySHSCICGYBBGUJR-UHFFFAOYSA-N
XLogP4.58
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

anthracene-1,2,3,4-tetracarbaldehyde
CID 87124414
1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
CID 173151279
chrysene-1,2,3-tricarbaldehyde
CID 141144423
2,3,4-triformylanthracene-1-carboxylic acid
CID 87124399
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
phenanthrene-2,3-dicarbaldehyde
CID 10466547
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
gold;pentacene
CID 162013118
3-nitronaphthalene-2-carbaldehyde
CID 12069028
8-aminoanthracene-2-carbaldehyde
CID 23131370
3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde
CID 141067337

Frequently Asked Questions

What is the IUPAC name of tetracene-1,2,3-tricarbaldehyde?
The IUPAC name of tetracene-1,2,3-tricarbaldehyde (CID 87124407) is tetracene-1,2,3-tricarbaldehyde.
What is the SMILES notation for tetracene-1,2,3-tricarbaldehyde?
The canonical SMILES for tetracene-1,2,3-tricarbaldehyde is O=Cc1cc2cc3cc4ccccc4cc3cc2c(C=O)c1C=O.
What is the InChIKey of tetracene-1,2,3-tricarbaldehyde?
The InChIKey is SHSCICGYBBGUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O3/c22-10-18-8-17-7-15-5-13-3-1-2-4-14(13)6-16(15)9-19(17)21(12-24)20(18)11-23/h1-12H.
What are the key properties of tetracene-1,2,3-tricarbaldehyde?
tetracene-1,2,3-tricarbaldehyde has a molecular weight of 312.32 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene-1,2,3-tricarbaldehyde is sourced from PubChem (CID 87124407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).