2-oxo-2-pentaphen-13-ylacetaldehyde

C24H14O2 — CID 174594406

IUPAC2-oxo-2-pentaphen-13-ylacetaldehyde
SMILESO=CC(=O)c1c2ccccc2cc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C24H14O2/c25-14-22(26)24-20-8-4-3-7-17(20)12-19-10-9-18-11-15-5-1-2-6-16(15)13-21(18)23(19)24/h1-14H
InChIKeyRTPYXGRYFRCDBR-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.68
Rot. Bonds2

About 2-oxo-2-pentaphen-13-ylacetaldehyde

2-oxo-2-pentaphen-13-ylacetaldehyde (PubChem CID 174594406) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-oxo-2-pentaphen-13-ylacetaldehyde.

Molecular Properties

Compound Name2-oxo-2-pentaphen-13-ylacetaldehyde
PubChem CID174594406
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name2-oxo-2-pentaphen-13-ylacetaldehyde
SMILESO=CC(=O)c1c2ccccc2cc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C24H14O2/c25-14-22(26)24-20-8-4-3-7-17(20)12-19-10-9-18-11-15-5-1-2-6-16(15)13-21(18)23(19)24/h1-14H
InChIKeyRTPYXGRYFRCDBR-UHFFFAOYSA-N
XLogP5.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
2-oxo-2-(1,2,3,4-tetramethylpentacen-6-yl)acetaldehyde
CID 174771570
benzo[a]anthracene-1,2-dicarboxylic acid
CID 174918266
2-(2,6-diiodoanthracen-9-yl)-2-oxoacetaldehyde
CID 174804512
3-anthracen-9-ylbut-2-enal
CID 174857112
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450
(E)-1,3-di(anthracen-9-yl)prop-2-en-1-one
CID 10201508
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
anthracene-1,9-dicarboxylic acid
CID 13155838
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
pentaphene;perylene
CID 159419403

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pentaphen-13-ylacetaldehyde?
The IUPAC name of 2-oxo-2-pentaphen-13-ylacetaldehyde (CID 174594406) is 2-oxo-2-pentaphen-13-ylacetaldehyde.
What is the SMILES notation for 2-oxo-2-pentaphen-13-ylacetaldehyde?
The canonical SMILES for 2-oxo-2-pentaphen-13-ylacetaldehyde is O=CC(=O)c1c2ccccc2cc2ccc3cc4ccccc4cc3c12.
What is the InChIKey of 2-oxo-2-pentaphen-13-ylacetaldehyde?
The InChIKey is RTPYXGRYFRCDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c25-14-22(26)24-20-8-4-3-7-17(20)12-19-10-9-18-11-15-5-1-2-6-16(15)13-21(18)23(19)24/h1-14H.
What are the key properties of 2-oxo-2-pentaphen-13-ylacetaldehyde?
2-oxo-2-pentaphen-13-ylacetaldehyde has a molecular weight of 334.37 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pentaphen-13-ylacetaldehyde is sourced from PubChem (CID 174594406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).