6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one

C42H27N3OSi — CID 153437559

IUPAC6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one
SMILESO=C1c2cnccc2-c2cc(N3c4ccccc4[Si]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21
InChIInChI=1S/C42H27N3OSi/c46-42-31-23-22-29(26-32(31)30-24-25-43-27-33(30)42)45-36-16-6-10-20-40(36)47(41-21-11-7-17-37(41)45)38-18-8-4-14-34(38)44(28-12-2-1-3-13-28)35-15-5-9-19-39(35)47/h1-27H
InChIKeyJCDDZJBLYIFVBQ-UHFFFAOYSA-N
MW617.78 g/mol
LogP7.24
Rot. Bonds2

About 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one

6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one (PubChem CID 153437559) has the molecular formula C42H27N3OSi and a molecular weight of 617.78 g/mol. Its IUPAC name is 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one.

Molecular Properties

Compound Name6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one
PubChem CID153437559
Molecular FormulaC42H27N3OSi
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one
SMILESO=C1c2cnccc2-c2cc(N3c4ccccc4[Si]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21
InChIInChI=1S/C42H27N3OSi/c46-42-31-23-22-29(26-32(31)30-24-25-43-27-33(30)42)45-36-16-6-10-20-40(36)47(41-21-11-7-17-37(41)45)38-18-8-4-14-34(38)44(28-12-2-1-3-13-28)35-15-5-9-19-39(35)47/h1-27H
InChIKeyJCDDZJBLYIFVBQ-UHFFFAOYSA-N
XLogP7.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one?
The IUPAC name of 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one (CID 153437559) is 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one.
What is the SMILES notation for 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one?
The canonical SMILES for 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one is O=C1c2cnccc2-c2cc(N3c4ccccc4[Si]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21.
What is the InChIKey of 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one?
The InChIKey is JCDDZJBLYIFVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3OSi/c46-42-31-23-22-29(26-32(31)30-24-25-43-27-33(30)42)45-36-16-6-10-20-40(36)47(41-21-11-7-17-37(41)45)38-18-8-4-14-34(38)44(28-12-2-1-3-13-28)35-15-5-9-19-39(35)47/h1-27H.
What are the key properties of 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one?
6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one has a molecular weight of 617.78 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazasiline]-5'-yl)indeno[2,3-c]pyridin-9-one is sourced from PubChem (CID 153437559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).