5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile

C54H33N5 — CID 138566451

IUPAC5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccccc2)cc1-c1ccncc1
InChIInChI=1S/C54H33N5/c55-34-37-30-52(47(35-12-2-1-3-13-35)33-46(37)36-26-28-56-29-27-36)59-53-31-38(57-48-18-8-4-14-40(48)41-15-5-9-19-49(41)57)22-24-44(53)45-25-23-39(32-54(45)59)58-50-20-10-6-16-42(50)43-17-7-11-21-51(43)58/h1-33H
InChIKeyHRUSJAIMXPUCEP-UHFFFAOYSA-N
MW751.89 g/mol
LogP13.58
Rot. Bonds5

About 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile

5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138566451) has the molecular formula C54H33N5 and a molecular weight of 751.89 g/mol. Its IUPAC name is 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
PubChem CID138566451
Molecular FormulaC54H33N5
Molecular Weight751.89 g/mol
Exact Mass751.27
IUPAC Name5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccccc2)cc1-c1ccncc1
InChIInChI=1S/C54H33N5/c55-34-37-30-52(47(35-12-2-1-3-13-35)33-46(37)36-26-28-56-29-27-36)59-53-31-38(57-48-18-8-4-14-40(48)41-15-5-9-19-49(41)57)22-24-44(53)45-25-23-39(32-54(45)59)58-50-20-10-6-16-42(50)43-17-7-11-21-51(43)58/h1-33H
InChIKeyHRUSJAIMXPUCEP-UHFFFAOYSA-N
XLogP13.58
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4-[3-tert-butyl-6-[1-[9-[9-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-4-pyridin-4-ylphenyl]carbazol-2-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292580
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296418

Frequently Asked Questions

What is the IUPAC name of 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile (CID 138566451) is 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2ccccc2)cc1-c1ccncc1.
What is the InChIKey of 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is HRUSJAIMXPUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5/c55-34-37-30-52(47(35-12-2-1-3-13-35)33-46(37)36-26-28-56-29-27-36)59-53-31-38(57-48-18-8-4-14-40(48)41-15-5-9-19-49(41)57)22-24-44(53)45-25-23-39(32-54(45)59)58-50-20-10-6-16-42(50)43-17-7-11-21-51(43)58/h1-33H.
What are the key properties of 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile?
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 751.89 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).