phenanthrene-1,2,3,4-tetracarbaldehyde

C18H10O4 — CID 87124454

IUPACphenanthrene-1,2,3,4-tetracarbaldehyde
SMILESO=Cc1c(C=O)c(C=O)c2c(ccc3ccccc32)c1C=O
InChIInChI=1S/C18H10O4/c19-7-14-13-6-5-11-3-1-2-4-12(11)18(13)17(10-22)16(9-21)15(14)8-20/h1-10H
InChIKeyQPLLWMWWBLHJHR-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.24
Rot. Bonds4

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

phenanthrene-1,2,3,4-tetracarbaldehyde (PubChem CID 87124454) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is phenanthrene-1,2,3,4-tetracarbaldehyde.

Molecular Properties

Compound Namephenanthrene-1,2,3,4-tetracarbaldehyde
PubChem CID87124454
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Namephenanthrene-1,2,3,4-tetracarbaldehyde
SMILESO=Cc1c(C=O)c(C=O)c2c(ccc3ccccc32)c1C=O
InChIInChI=1S/C18H10O4/c19-7-14-13-6-5-11-3-1-2-4-12(11)18(13)17(10-22)16(9-21)15(14)8-20/h1-10H
InChIKeyQPLLWMWWBLHJHR-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_3', 'substructure': 'N/A'}

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Related Compounds

pyrene-1,2,3-tricarbaldehyde
CID 87124347
2-chloro-3H-benzo[e]indole-1-carbaldehyde
CID 4210313
anthracene-1,2,3,4-tetracarbaldehyde
CID 87124414
chrysene-1,2,3-tricarbaldehyde
CID 141144423
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2,4-dihydroxyphenanthrene-3-carbaldehyde
CID 102282696
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
benzo[c]phenanthrene;chrysene
CID 161372898
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841

Frequently Asked Questions

What is the IUPAC name of phenanthrene-1,2,3,4-tetracarbaldehyde?
The IUPAC name of phenanthrene-1,2,3,4-tetracarbaldehyde (CID 87124454) is phenanthrene-1,2,3,4-tetracarbaldehyde.
What is the SMILES notation for phenanthrene-1,2,3,4-tetracarbaldehyde?
The canonical SMILES for phenanthrene-1,2,3,4-tetracarbaldehyde is O=Cc1c(C=O)c(C=O)c2c(ccc3ccccc32)c1C=O.
What is the InChIKey of phenanthrene-1,2,3,4-tetracarbaldehyde?
The InChIKey is QPLLWMWWBLHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-7-14-13-6-5-11-3-1-2-4-12(11)18(13)17(10-22)16(9-21)15(14)8-20/h1-10H.
What are the key properties of phenanthrene-1,2,3,4-tetracarbaldehyde?
phenanthrene-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 phenanthrene-1,2,3,4-tetracarbaldehyde is sourced from PubChem (CID 87124454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).