9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile

C43H28N2OSi — CID 123762186

IUPAC9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C43H28N2OSi/c44-29-30-13-12-22-40-43(30)36-20-10-11-21-39(36)45(40)31-23-25-41-37(27-31)38-28-35(24-26-42(38)46-41)47(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H
InChIKeyQIVUNNDQZBWRJT-UHFFFAOYSA-N
MW616.80 g/mol
LogP7.93
Rot. Bonds5

About 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile

9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile (PubChem CID 123762186) has the molecular formula C43H28N2OSi and a molecular weight of 616.80 g/mol. Its IUPAC name is 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
PubChem CID123762186
Molecular FormulaC43H28N2OSi
Molecular Weight616.80 g/mol
Exact Mass616.20
IUPAC Name9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C43H28N2OSi/c44-29-30-13-12-22-40-43(30)36-20-10-11-21-39(36)45(40)31-23-25-41-37(27-31)38-28-35(24-26-42(38)46-41)47(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H
InChIKeyQIVUNNDQZBWRJT-UHFFFAOYSA-N
XLogP7.93
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.80
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
CID 166588251
9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
9-[3-[[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile
CID 140842581
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171457987
[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
CID 140702791
dibenzofuran-2-yl-[3-[4-[4-[diphenyl-(4-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171457910
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[8-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-yl]-triphenylsilane
CID 58049752
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880

Frequently Asked Questions

What is the IUPAC name of 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile?
The IUPAC name of 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile (CID 123762186) is 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile.
What is the SMILES notation for 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile?
The canonical SMILES for 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile is N#Cc1cccc2c1c1ccccc1n2-c1ccc2oc3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2c1.
What is the InChIKey of 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile?
The InChIKey is QIVUNNDQZBWRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2OSi/c44-29-30-13-12-22-40-43(30)36-20-10-11-21-39(36)45(40)31-23-25-41-37(27-31)38-28-35(24-26-42(38)46-41)47(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H.
What are the key properties of 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile?
9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile has a molecular weight of 616.80 g/mol, XLogP of 7.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile is sourced from PubChem (CID 123762186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).