3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile

C56H33N5 — CID 135130926

IUPAC3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H33N5/c57-34-36-15-13-17-38(31-36)46-33-47(39-18-14-16-37(32-39)35-58)55(60-50-27-9-3-21-42(50)43-22-4-10-28-51(43)60)56(61-52-29-11-5-23-44(52)45-24-6-12-30-53(45)61)54(46)59-48-25-7-1-19-40(48)41-20-2-8-26-49(41)59/h1-33H
InChIKeyUGDSXYZYALGJJA-UHFFFAOYSA-N
MW775.92 g/mol
LogP14.06
Rot. Bonds5

About 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile

3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile (PubChem CID 135130926) has the molecular formula C56H33N5 and a molecular weight of 775.92 g/mol. Its IUPAC name is 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
PubChem CID135130926
Molecular FormulaC56H33N5
Molecular Weight775.92 g/mol
Exact Mass775.27
IUPAC Name3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H33N5/c57-34-36-15-13-17-38(31-36)46-33-47(39-18-14-16-37(32-39)35-58)55(60-50-27-9-3-21-42(50)43-22-4-10-28-51(43)60)56(61-52-29-11-5-23-44(52)45-24-6-12-30-53(45)61)54(46)59-48-25-7-1-19-40(48)41-20-2-8-26-49(41)59/h1-33H
InChIKeyUGDSXYZYALGJJA-UHFFFAOYSA-N
XLogP14.06
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
3-[3-(3-cyanophenyl)-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446453
3-[3-(3-cyanophenyl)-2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446457
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
5-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155446439
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-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]benzonitrile
CID 126582478
3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-[2,4-bis(3-carbazol-9-ylcarbazol-9-yl)-3-methylphenyl]benzonitrile
CID 157387671

Frequently Asked Questions

What is the IUPAC name of 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile (CID 135130926) is 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile?
The InChIKey is UGDSXYZYALGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5/c57-34-36-15-13-17-38(31-36)46-33-47(39-18-14-16-37(32-39)35-58)55(60-50-27-9-3-21-42(50)43-22-4-10-28-51(43)60)56(61-52-29-11-5-23-44(52)45-24-6-12-30-53(45)61)54(46)59-48-25-7-1-19-40(48)41-20-2-8-26-49(41)59/h1-33H.
What are the key properties of 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile?
3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile has a molecular weight of 775.92 g/mol, XLogP of 14.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 135130926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).