ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde

C30H24O2 — CID 143224039

IUPACethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
SMILESCC.O=Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C=O)c2ccccc12
InChIInChI=1S/C28H18O2.C2H6/c29-17-19-9-1-3-11-21(19)27-23-13-5-7-15-25(23)28(26-16-8-6-14-24(26)27)22-12-4-2-10-20(22)18-30;1-2/h1-18H;1-2H3
InChIKeyRHSCAVXEFYIBKP-UHFFFAOYSA-N
MW416.52 g/mol
LogP7.98
Rot. Bonds4

About ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde

ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde (PubChem CID 143224039) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde.

Molecular Properties

Compound Nameethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
PubChem CID143224039
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Nameethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
SMILESCC.O=Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C=O)c2ccccc12
InChIInChI=1S/C28H18O2.C2H6/c29-17-19-9-1-3-11-21(19)27-23-13-5-7-15-25(23)28(26-16-8-6-14-24(26)27)22-12-4-2-10-20(22)18-30;1-2/h1-18H;1-2H3
InChIKeyRHSCAVXEFYIBKP-UHFFFAOYSA-N
XLogP7.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde?
The IUPAC name of ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde (CID 143224039) is ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde.
What is the SMILES notation for ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde?
The canonical SMILES for ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde is CC.O=Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C=O)c2ccccc12.
What is the InChIKey of ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde?
The InChIKey is RHSCAVXEFYIBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O2.C2H6/c29-17-19-9-1-3-11-21(19)27-23-13-5-7-15-25(23)28(26-16-8-6-14-24(26)27)22-12-4-2-10-20(22)18-30;1-2/h1-18H;1-2H3.
What are the key properties of ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde?
ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde has a molecular weight of 416.52 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde is sourced from PubChem (CID 143224039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).