2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde

C28H23NO — CID 24858973

IUPAC2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C=O)cc1
InChIInChI=1S/C28H23NO/c1-29(2)25-12-9-19(10-13-25)28-17-21(7-8-23(28)18-30)20-11-14-27-24(15-20)16-22-5-3-4-6-26(22)27/h3-15,17-18H,16H2,1-2H3
InChIKeyXVODCDFHXKMGLC-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.47
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde

2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde (PubChem CID 24858973) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde
PubChem CID24858973
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C=O)cc1
InChIInChI=1S/C28H23NO/c1-29(2)25-12-9-19(10-13-25)28-17-21(7-8-23(28)18-30)20-11-14-27-24(15-20)16-22-5-3-4-6-26(22)27/h3-15,17-18H,16H2,1-2H3
InChIKeyXVODCDFHXKMGLC-UHFFFAOYSA-N
XLogP6.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde (CID 24858973) is 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde is CN(C)c1ccc(-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde?
The InChIKey is XVODCDFHXKMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c1-29(2)25-12-9-19(10-13-25)28-17-21(7-8-23(28)18-30)20-11-14-27-24(15-20)16-22-5-3-4-6-26(22)27/h3-15,17-18H,16H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde?
2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde has a molecular weight of 389.50 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)benzaldehyde is sourced from PubChem (CID 24858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).