6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

C28H25NO — CID 24859968

IUPAC6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc4c(c3)Cc3ccccc3-4)=CC=C2C=O)cc1
InChIInChI=1S/C28H25NO/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/h3-15,18,28H,16-17H2,1-2H3
InChIKeyODGYSLPQFKQRLE-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.02
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859968) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859968
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc4c(c3)Cc3ccccc3-4)=CC=C2C=O)cc1
InChIInChI=1S/C28H25NO/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/h3-15,18,28H,16-17H2,1-2H3
InChIKeyODGYSLPQFKQRLE-UHFFFAOYSA-N
XLogP6.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24859968) is 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is CN(C)c1ccc(C2CC(c3ccc4c(c3)Cc3ccccc3-4)=CC=C2C=O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is ODGYSLPQFKQRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/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/h3-15,18,28H,16-17H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 391.51 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).