3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile

C56H37N3OSi — CID 177277029

IUPAC3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile
SMILESCc1ccc2c(c1)c1c3c(ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(C#N)cc(-n4c5ccccc5c5ccccc54)c2)cc1)oc1ccccc13
InChIInChI=1S/C56H37N3OSi/c1-37-24-29-51-48(32-37)55-52(30-31-54-56(55)47-20-10-13-23-53(47)60-54)58(51)39-25-27-43(28-26-39)61(41-14-4-2-5-15-41,42-16-6-3-7-17-42)44-34-38(36-57)33-40(35-44)59-49-21-11-8-18-45(49)46-19-9-12-22-50(46)59/h2-35H,1H3
InChIKeyBOFWNZQEQCGQBJ-UHFFFAOYSA-N
MW796.02 g/mol
LogP11.34
Rot. Bonds6

About 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile

3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile (PubChem CID 177277029) has the molecular formula C56H37N3OSi and a molecular weight of 796.02 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile
PubChem CID177277029
Molecular FormulaC56H37N3OSi
Molecular Weight796.02 g/mol
Exact Mass795.27
IUPAC Name3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile
SMILESCc1ccc2c(c1)c1c3c(ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(C#N)cc(-n4c5ccccc5c5ccccc54)c2)cc1)oc1ccccc13
InChIInChI=1S/C56H37N3OSi/c1-37-24-29-51-48(32-37)55-52(30-31-54-56(55)47-20-10-13-23-53(47)60-54)58(51)39-25-27-43(28-26-39)61(41-14-4-2-5-15-41,42-16-6-3-7-17-42)44-34-38(36-57)33-40(35-44)59-49-21-11-8-18-45(49)46-19-9-12-22-50(46)59/h2-35H,1H3
InChIKeyBOFWNZQEQCGQBJ-UHFFFAOYSA-N
XLogP11.34
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.02
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile with MolForge

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Related Compounds

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
9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 140842601
9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
CID 140842346
3-(4-carbazol-9-ylphenyl)-5-(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)benzonitrile
CID 129290907
3-[[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-(4-carbazol-9-ylphenyl)-(3-methylphenyl)silyl]benzonitrile
CID 163608508
5,18-dimethyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 146214385
4-carbazol-9-yl-3-[5-methyl-2-(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]benzonitrile
CID 155299361
[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]-diphenyl-(3-pyrido[2,3-b]indol-9-ylphenyl)silane
CID 140842382
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
2-carbazol-9-yl-4-[3-cyano-5-(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]benzonitrile
CID 129299811
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile (CID 177277029) is 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile is Cc1ccc2c(c1)c1c3c(ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(C#N)cc(-n4c5ccccc5c5ccccc54)c2)cc1)oc1ccccc13.
What is the InChIKey of 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile?
The InChIKey is BOFWNZQEQCGQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3OSi/c1-37-24-29-51-48(32-37)55-52(30-31-54-56(55)47-20-10-13-23-53(47)60-54)58(51)39-25-27-43(28-26-39)61(41-14-4-2-5-15-41,42-16-6-3-7-17-42)44-34-38(36-57)33-40(35-44)59-49-21-11-8-18-45(49)46-19-9-12-22-50(46)59/h2-35H,1H3.
What are the key properties of 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile?
3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile has a molecular weight of 796.02 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[[4-(18-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]-diphenylsilyl]benzonitrile is sourced from PubChem (CID 177277029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).