1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde

C30H18O4 — CID 173151279

IUPAC1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
SMILESO=Cc1cc2cc3c(-c4ccccc4)c(C=O)c(C=O)cc3cc2c(-c2ccccc2)c1C=O
InChIInChI=1S/C30H18O4/c31-15-23-11-21-14-26-22(13-25(21)29(27(23)17-33)19-7-3-1-4-8-19)12-24(16-32)28(18-34)30(26)20-9-5-2-6-10-20/h1-18H
InChIKeySZUJCHPPJAMCIV-UHFFFAOYSA-N
MW442.47 g/mol
LogP6.58
Rot. Bonds6

About 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde

1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde (PubChem CID 173151279) has the molecular formula C30H18O4 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde.

Molecular Properties

Compound Name1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
PubChem CID173151279
Molecular FormulaC30H18O4
Molecular Weight442.47 g/mol
Exact Mass442.12
IUPAC Name1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
SMILESO=Cc1cc2cc3c(-c4ccccc4)c(C=O)c(C=O)cc3cc2c(-c2ccccc2)c1C=O
InChIInChI=1S/C30H18O4/c31-15-23-11-21-14-26-22(13-25(21)29(27(23)17-33)19-7-3-1-4-8-19)12-24(16-32)28(18-34)30(26)20-9-5-2-6-10-20/h1-18H
InChIKeySZUJCHPPJAMCIV-UHFFFAOYSA-N
XLogP6.58
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 56.58
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'}

Analyze 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzanthrone
CID 6697
1-Naphthaldehyde
CID 6195
2-Naphthalenecarboxaldehyde
CID 6201
Dibenzo(b,def)chrysene-7,14-dione
CID 31412
9-Anthracenecarboxaldehyde
CID 69504
Benz(a)anthracene-7,12-dione
CID 17253
2-(4-Methyl-3-pentenyl)anthraquinone
CID 317256
1,4-Phenanthrenequinone
CID 98574
Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione
CID 8317
2,3-Naphthalenedicarboxaldehyde
CID 96400
5,12-Naphthacenedione
CID 14160
4,5-Pyrenedione
CID 160814

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde?
The IUPAC name of 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde (CID 173151279) is 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde.
What is the SMILES notation for 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde?
The canonical SMILES for 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde is O=Cc1cc2cc3c(-c4ccccc4)c(C=O)c(C=O)cc3cc2c(-c2ccccc2)c1C=O.
What is the InChIKey of 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde?
The InChIKey is SZUJCHPPJAMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O4/c31-15-23-11-21-14-26-22(13-25(21)29(27(23)17-33)19-7-3-1-4-8-19)12-24(16-32)28(18-34)30(26)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde?
1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde has a molecular weight of 442.47 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde is sourced from PubChem (CID 173151279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).