2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione

C26H19NO2 — CID 143976209

IUPAC2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione
SMILESNc1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1
InChIInChI=1S/C26H19NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17H,13,27H2
InChIKeyRDCYGAOEMQRQDI-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.00
Rot. Bonds3

About 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione

2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione (PubChem CID 143976209) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione
PubChem CID143976209
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC Name2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione
SMILESNc1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1
InChIInChI=1S/C26H19NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17H,13,27H2
InChIKeyRDCYGAOEMQRQDI-UHFFFAOYSA-N
XLogP5.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione 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

[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide
CID 143976208
[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol
CID 142274342
4-benzyl-4H-isoquinolin-1-one
CID 69359963
CID 158261979
CID 158261979
2,3-diaminonaphthalene-1,4-dione
CID 4167268
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
CID 139088210
2-[[4-[N-benzyl-4-[N-benzyl-4-[(1,3-dioxoinden-2-ylidene)methyl]anilino]anilino]phenyl]methylidene]indene-1,3-dione
CID 59994776
2-(4-aminophenyl)-10-ethylideneanthracen-9-one
CID 121306780
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]aniline
CID 118857926
(2E,3Z)-2,3-di(ethylidene)inden-1-one;methanamine
CID 142271193

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione (CID 143976209) is 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione is Nc1ccc(CC2C=C(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1.
What is the InChIKey of 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione?
The InChIKey is RDCYGAOEMQRQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2/c27-19-11-9-16(10-12-19)13-17-14-18(21-6-2-1-5-20(17)21)15-24-25(28)22-7-3-4-8-23(22)26(24)29/h1-12,14-15,17H,13,27H2.
What are the key properties of 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione?
2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione has a molecular weight of 377.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 143976209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).