4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile

C44H29N3Si — CID 163556606

IUPAC4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-28-34(31-46)44(33-24-26-35(27-25-33)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)43(29-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H
InChIKeyFNOZAEYOPZCEPC-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile

4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile (PubChem CID 163556606) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
PubChem CID163556606
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H29N3Si/c45-30-32-28-34(31-46)44(33-24-26-35(27-25-33)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)43(29-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H
InChIKeyFNOZAEYOPZCEPC-UHFFFAOYSA-N
XLogP7.57
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 57.57
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

4-[[2-(4-carbazol-9-ylphenyl)phenyl]-diphenylsilyl]benzonitrile
CID 153318740
4-carbazol-9-yl-2-(3-cyano-5-triphenylsilylphenyl)benzonitrile
CID 153318749
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[4-(4,5-diisocyano-2-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318851
5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 155080571
3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 159265297
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
9-[4-(3,4-diisocyano-5-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 153318256
9-[2-[2-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155081498
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile (CID 163556606) is 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile?
The InChIKey is FNOZAEYOPZCEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-32-28-34(31-46)44(33-24-26-35(27-25-33)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)43(29-32)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile?
4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile has a molecular weight of 627.82 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 163556606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).