4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile

C37H25NOSi — CID 174005051

IUPAC4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C37H25NOSi/c38-26-27-18-20-28(21-19-27)29-10-9-15-32(24-29)40(30-11-3-1-4-12-30,31-13-5-2-6-14-31)33-22-23-35-34-16-7-8-17-36(34)39-37(35)25-33/h1-25H
InChIKeyYMRZIMXGZLERRT-UHFFFAOYSA-N
MW527.70 g/mol
LogP6.50
Rot. Bonds5

About 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile

4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile (PubChem CID 174005051) has the molecular formula C37H25NOSi and a molecular weight of 527.70 g/mol. Its IUPAC name is 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile
PubChem CID174005051
Molecular FormulaC37H25NOSi
Molecular Weight527.70 g/mol
Exact Mass527.17
IUPAC Name4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C37H25NOSi/c38-26-27-18-20-28(21-19-27)29-10-9-15-32(24-29)40(30-11-3-1-4-12-30,31-13-5-2-6-14-31)33-22-23-35-34-16-7-8-17-36(34)39-37(35)25-33/h1-25H
InChIKeyYMRZIMXGZLERRT-UHFFFAOYSA-N
XLogP6.50
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.70
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
CID 149392924
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123398837
3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]benzonitrile;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane
CID 160964825
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane
CID 160844798
[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane
CID 177079309
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]silane;diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane;diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 158196682

Frequently Asked Questions

What is the IUPAC name of 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile?
The IUPAC name of 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile (CID 174005051) is 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile?
The canonical SMILES for 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile is N#Cc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile?
The InChIKey is YMRZIMXGZLERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NOSi/c38-26-27-18-20-28(21-19-27)29-10-9-15-32(24-29)40(30-11-3-1-4-12-30,31-13-5-2-6-14-31)33-22-23-35-34-16-7-8-17-36(34)39-37(35)25-33/h1-25H.
What are the key properties of 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile?
4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile has a molecular weight of 527.70 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile is sourced from PubChem (CID 174005051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).