2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione

C25H24N2O2 — CID 90391054

IUPAC2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H24N2O2/c1-26(2)19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)27(3)4)23(28)21-7-5-6-8-22(21)24(25)29/h5-16H,1-4H3
InChIKeyHYSUNITUJNJVGN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.18
Rot. Bonds4

About 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione

2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione (PubChem CID 90391054) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione
PubChem CID90391054
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H24N2O2/c1-26(2)19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)27(3)4)23(28)21-7-5-6-8-22(21)24(25)29/h5-16H,1-4H3
InChIKeyHYSUNITUJNJVGN-UHFFFAOYSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione (CID 90391054) is 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione?
The InChIKey is HYSUNITUJNJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-26(2)19-13-9-17(10-14-19)25(18-11-15-20(16-12-18)27(3)4)23(28)21-7-5-6-8-22(21)24(25)29/h5-16H,1-4H3.
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione?
2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione has a molecular weight of 384.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]indene-1,3-dione is sourced from PubChem (CID 90391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).