pyrene-1,2,3-tricarbaldehyde

C19H10O3 — CID 87124347

IUPACpyrene-1,2,3-tricarbaldehyde
SMILESO=Cc1c(C=O)c2ccc3cccc4ccc(c1C=O)c2c34
InChIInChI=1S/C19H10O3/c20-8-15-13-6-4-11-2-1-3-12-5-7-14(19(13)18(11)12)16(9-21)17(15)10-22/h1-10H
InChIKeyYAUJRZPWJDMJGN-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.02
Rot. Bonds3

About pyrene-1,2,3-tricarbaldehyde

pyrene-1,2,3-tricarbaldehyde (PubChem CID 87124347) has the molecular formula C19H10O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is pyrene-1,2,3-tricarbaldehyde.

Molecular Properties

Compound Namepyrene-1,2,3-tricarbaldehyde
PubChem CID87124347
Molecular FormulaC19H10O3
Molecular Weight286.29 g/mol
Exact Mass286.06
IUPAC Namepyrene-1,2,3-tricarbaldehyde
SMILESO=Cc1c(C=O)c2ccc3cccc4ccc(c1C=O)c2c34
InChIInChI=1S/C19H10O3/c20-8-15-13-6-4-11-2-1-3-12-5-7-14(19(13)18(11)12)16(9-21)17(15)10-22/h1-10H
InChIKeyYAUJRZPWJDMJGN-UHFFFAOYSA-N
XLogP4.02
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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16-thianonacyclo[19.6.2.24,7.02,17.03,15.05,14.06,11.018,28.025,29]hentriaconta-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26,30-pentadecaene
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5,7-dibromo-6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
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Frequently Asked Questions

What is the IUPAC name of pyrene-1,2,3-tricarbaldehyde?
The IUPAC name of pyrene-1,2,3-tricarbaldehyde (CID 87124347) is pyrene-1,2,3-tricarbaldehyde.
What is the SMILES notation for pyrene-1,2,3-tricarbaldehyde?
The canonical SMILES for pyrene-1,2,3-tricarbaldehyde is O=Cc1c(C=O)c2ccc3cccc4ccc(c1C=O)c2c34.
What is the InChIKey of pyrene-1,2,3-tricarbaldehyde?
The InChIKey is YAUJRZPWJDMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O3/c20-8-15-13-6-4-11-2-1-3-12-5-7-14(19(13)18(11)12)16(9-21)17(15)10-22/h1-10H.
What are the key properties of pyrene-1,2,3-tricarbaldehyde?
pyrene-1,2,3-tricarbaldehyde has a molecular weight of 286.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene-1,2,3-tricarbaldehyde is sourced from PubChem (CID 87124347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).