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

C30H27NO2Se2Si — CID 140821962

IUPAC5-[[5-[10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-5-yl]selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
SMILESCC(C)[Si]1(C(C)C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21
InChIInChI=1S/C30H27NO2Se2Si/c1-18(2)36(19(3)4)26-11-7-5-9-24(26)31(25-10-6-8-12-27(25)36)28-14-13-20(35-28)15-21-29(32)22-16-34-17-23(22)30(21)33/h5-19H,1-4H3
InChIKeyDELDVBBQEAQLPH-UHFFFAOYSA-N
MW619.56 g/mol
LogP5.43
Rot. Bonds4

About 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

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 (PubChem CID 140821962) has the molecular formula C30H27NO2Se2Si and a molecular weight of 619.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[5-[10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-5-yl]selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
PubChem CID140821962
Molecular FormulaC30H27NO2Se2Si
Molecular Weight619.56 g/mol
Exact Mass621.01
IUPAC Name5-[[5-[10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-5-yl]selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
SMILESCC(C)[Si]1(C(C)C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21
InChIInChI=1S/C30H27NO2Se2Si/c1-18(2)36(19(3)4)26-11-7-5-9-24(26)31(25-10-6-8-12-27(25)36)28-14-13-20(35-28)15-21-29(32)22-16-34-17-23(22)30(21)33/h5-19H,1-4H3
InChIKeyDELDVBBQEAQLPH-UHFFFAOYSA-N
XLogP5.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.56
LogP ≤ 55.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[Si]1(C(C)C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is DELDVBBQEAQLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2Se2Si/c1-18(2)36(19(3)4)26-11-7-5-9-24(26)31(25-10-6-8-12-27(25)36)28-14-13-20(35-28)15-21-29(32)22-16-34-17-23(22)30(21)33/h5-19H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 619.56 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140821962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).