5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione

C27H19NO2Se2 — CID 140821941

IUPAC5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
SMILESCC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21
InChIInChI=1S/C27H19NO2Se2/c1-27(2)20-7-3-5-9-22(20)28(23-10-6-4-8-21(23)27)24-12-11-16(32-24)13-17-25(29)18-14-31-15-19(18)26(17)30/h3-15H,1-2H3
InChIKeyXCUVLYSTAQCLIN-UHFFFAOYSA-N
MW547.37 g/mol
LogP5.37
Rot. Bonds2

About 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione

5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione (PubChem CID 140821941) has the molecular formula C27H19NO2Se2 and a molecular weight of 547.37 g/mol. Its IUPAC name is 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione.

Molecular Properties

Compound Name5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
PubChem CID140821941
Molecular FormulaC27H19NO2Se2
Molecular Weight547.37 g/mol
Exact Mass548.97
IUPAC Name5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
SMILESCC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21
InChIInChI=1S/C27H19NO2Se2/c1-27(2)20-7-3-5-9-22(20)28(23-10-6-4-8-21(23)27)24-12-11-16(32-24)13-17-25(29)18-14-31-15-19(18)26(17)30/h3-15H,1-2H3
InChIKeyXCUVLYSTAQCLIN-UHFFFAOYSA-N
XLogP5.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-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

5-[[5-[10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-5-yl]selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821962
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140963339
5-[[4-(9,9-dimethylacridin-10-yl)-2,5-diethylphenyl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 171405674
5-[[5-(8,8-dimethyl-4,12-dithia-2-aza-8-silatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraen-2-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821928
6-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;(6E)-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;6-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;(6E)-6-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;(6E)-6-[(5-pyrido[3,2-b][1,4]benzothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione
CID 161303704
6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzothiole-5,7-dione
CID 140822012
2-[(7,7-dimethyl-3-selena-13-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8(20),9,11,14,16,18-octaen-4-yl)methylidene]indene-1,3-dione
CID 160708281
2-[[5-(5-methyl-5H-benzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]indene-1,3-dione
CID 167578198
2-[[4-(9,9-dimethylacridin-10-yl)-2,5-dimethylphenyl]methylidene]-5,6-difluoroindene-1,3-dione
CID 171405654
(6E)-2-methyl-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzothiole-5,7-dione
CID 140821930
2-[(7,7-dimethyl-13-oxa-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8(20),9,11,14,16,18-octaen-4-yl)methylidene]indene-1,3-dione
CID 161136012
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The IUPAC name of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione (CID 140821941) is 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione.
What is the SMILES notation for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The canonical SMILES for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione is CC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21.
What is the InChIKey of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The InChIKey is XCUVLYSTAQCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2Se2/c1-27(2)20-7-3-5-9-22(20)28(23-10-6-4-8-21(23)27)24-12-11-16(32-24)13-17-25(29)18-14-31-15-19(18)26(17)30/h3-15H,1-2H3.
What are the key properties of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione has a molecular weight of 547.37 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione is sourced from PubChem (CID 140821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).