6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile

C36H25N3Si — CID 153487895

IUPAC6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)n1
InChIInChI=1S/C36H25N3Si/c37-26-28-14-12-20-32(38-28)27-13-11-15-29(25-27)39-33-21-7-9-23-35(33)40(30-16-3-1-4-17-30,31-18-5-2-6-19-31)36-24-10-8-22-34(36)39/h1-25H
InChIKeyRAKSUARLHDSEJV-UHFFFAOYSA-N
MW527.70 g/mol
LogP5.78
Rot. Bonds4

About 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile

6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 153487895) has the molecular formula C36H25N3Si and a molecular weight of 527.70 g/mol. Its IUPAC name is 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
PubChem CID153487895
Molecular FormulaC36H25N3Si
Molecular Weight527.70 g/mol
Exact Mass527.18
IUPAC Name6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)n1
InChIInChI=1S/C36H25N3Si/c37-26-28-14-12-20-32(38-28)27-13-11-15-29(25-27)39-33-21-7-9-23-35(33)40(30-16-3-1-4-17-30,31-18-5-2-6-19-31)36-24-10-8-22-34(36)39/h1-25H
InChIKeyRAKSUARLHDSEJV-UHFFFAOYSA-N
XLogP5.78
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.70
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile (CID 153487895) is 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cccc(-c2cccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)n1.
What is the InChIKey of 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is RAKSUARLHDSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3Si/c37-26-28-14-12-20-32(38-28)27-13-11-15-29(25-27)39-33-21-7-9-23-35(33)40(30-16-3-1-4-17-30,31-18-5-2-6-19-31)36-24-10-8-22-34(36)39/h1-25H.
What are the key properties of 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile?
6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 527.70 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 153487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).