3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile

C37H24N2OSi — CID 140947494

IUPAC3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O4)c1
InChIInChI=1S/C37H24N2OSi/c38-25-26-12-11-13-27(24-26)39-31-19-8-7-18-30(31)36-32(39)22-23-35-37(36)40-33-20-9-10-21-34(33)41(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-24H
InChIKeyJZOKNNKHLMFLBG-UHFFFAOYSA-N
MW540.70 g/mol
LogP6.14
Rot. Bonds3

About 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile

3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 140947494) has the molecular formula C37H24N2OSi and a molecular weight of 540.70 g/mol. Its IUPAC name is 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID140947494
Molecular FormulaC37H24N2OSi
Molecular Weight540.70 g/mol
Exact Mass540.17
IUPAC Name3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O4)c1
InChIInChI=1S/C37H24N2OSi/c38-25-26-12-11-13-27(24-26)39-31-19-8-7-18-30(31)36-32(39)22-23-35-37(36)40-33-20-9-10-21-34(33)41(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-24H
InChIKeyJZOKNNKHLMFLBG-UHFFFAOYSA-N
XLogP6.14
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.70
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)-9,9-dimethylfluorene-3-carbonitrile
CID 140947513
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
8-carbazol-9-yl-6-triphenylsilyldibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;[2-(9,9-diphenylacridin-10-yl)dibenzofuran-4-yl]-triphenylsilane;[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)dibenzofuran-4-yl]-triphenylsilane
CID 158156154
[3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952220
9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873053
15-(3-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-8-carbonitrile
CID 146180213
3-tert-butyl-9-[6-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]carbazole
CID 140937166
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
3,6-ditert-butyl-9-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)carbazole
CID 147463518
9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873018
5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257

Frequently Asked Questions

What is the IUPAC name of 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile (CID 140947494) is 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2O4)c1.
What is the InChIKey of 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is JZOKNNKHLMFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2OSi/c38-25-26-12-11-13-27(24-26)39-31-19-8-7-18-30(31)36-32(39)22-23-35-37(36)40-33-20-9-10-21-34(33)41(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-24H.
What are the key properties of 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile?
3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 540.70 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 140947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).