8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one

C23H24N2OSi — CID 161113348

IUPAC8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(c1ccccc1)C1=CC(=O)C=CC1=N2
InChIInChI=1S/C23H24N2OSi/c1-4-25(5-2)17-11-13-20-22(15-17)27(3,19-9-7-6-8-10-19)23-16-18(26)12-14-21(23)24-20/h6-16H,4-5H2,1-3H3
InChIKeyYZEQKVPYKDKFLZ-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.42
Rot. Bonds4

About 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one

8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one (PubChem CID 161113348) has the molecular formula C23H24N2OSi and a molecular weight of 372.54 g/mol. Its IUPAC name is 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one.

Molecular Properties

Compound Name8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one
PubChem CID161113348
Molecular FormulaC23H24N2OSi
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC Name8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one
SMILESCCN(CC)c1ccc2c(c1)[Si](C)(c1ccccc1)C1=CC(=O)C=CC1=N2
InChIInChI=1S/C23H24N2OSi/c1-4-25(5-2)17-11-13-20-22(15-17)27(3,19-9-7-6-8-10-19)23-16-18(26)12-14-21(23)24-20/h6-16H,4-5H2,1-3H3
InChIKeyYZEQKVPYKDKFLZ-UHFFFAOYSA-N
XLogP3.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-((4-(Dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-one
CID 75078
4-(4-(Dimethylamino)phenylimino)-2-methyl-2,5-cyclohexadien-1-one
CID 95045
(4e)-4-{[4-(Dimethylamino)phenyl]imino}-3-methylcyclohexa-2,5-dien-1-one
CID 225407
2,5-Cyclohexadien-1-one, 4-[[4-(dimethylamino)phenyl]imino]-2,5-dimethyl-
CID 225415
4-[4-(Dimethylamino)phenyl]imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 225413
4-[4-(Diethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 101651188
4-[4-(Diethylamino)phenyl]imino-3-methylcyclohexa-2,5-dien-1-one
CID 14848730
2-Chloro-4-[4-(diethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 23365957
2-Chloro-4-[4-(dihexylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 23365959
2,5-Dichloro-4-[4-(diethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 23505318
2,6-Dichloro-4-[4-(diethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 53730330
2,3-Dichloro-4-[4-(diethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 54125258

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one?
The IUPAC name of 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one (CID 161113348) is 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one.
What is the SMILES notation for 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one?
The canonical SMILES for 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one is CCN(CC)c1ccc2c(c1)[Si](C)(c1ccccc1)C1=CC(=O)C=CC1=N2.
What is the InChIKey of 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one?
The InChIKey is YZEQKVPYKDKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OSi/c1-4-25(5-2)17-11-13-20-22(15-17)27(3,19-9-7-6-8-10-19)23-16-18(26)12-14-21(23)24-20/h6-16H,4-5H2,1-3H3.
What are the key properties of 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one?
8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one has a molecular weight of 372.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-10-methyl-10-phenylbenzo[b][1,4]benzazasilin-2-one is sourced from PubChem (CID 161113348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).