6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile

C60H33N9 — CID 135136225

IUPAC6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(C#N)cn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-c2ccc(C#N)cn2)nc1
InChIInChI=1S/C60H33N9/c61-31-37-25-28-46(64-34-37)55-56(47-29-26-38(32-62)35-65-47)58(67-49-19-7-1-13-40(49)41-14-2-8-20-50(41)67)60(69-53-23-11-5-17-44(53)45-18-6-12-24-54(45)69)59(57(55)48-30-27-39(33-63)36-66-48)68-51-21-9-3-15-42(51)43-16-4-10-22-52(43)68/h1-30,34-36H
InChIKeyMIRGGZLXYMUGSV-UHFFFAOYSA-N
MW879.99 g/mol
LogP13.78
Rot. Bonds6

About 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile

6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile (PubChem CID 135136225) has the molecular formula C60H33N9 and a molecular weight of 879.99 g/mol. Its IUPAC name is 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
PubChem CID135136225
Molecular FormulaC60H33N9
Molecular Weight879.99 g/mol
Exact Mass879.29
IUPAC Name6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(C#N)cn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-c2ccc(C#N)cn2)nc1
InChIInChI=1S/C60H33N9/c61-31-37-25-28-46(64-34-37)55-56(47-29-26-38(32-62)35-65-47)58(67-49-19-7-1-13-40(49)41-14-2-8-20-50(41)67)60(69-53-23-11-5-17-44(53)45-18-6-12-24-54(45)69)59(57(55)48-30-27-39(33-63)36-66-48)68-51-21-9-3-15-42(51)43-16-4-10-22-52(43)68/h1-30,34-36H
InChIKeyMIRGGZLXYMUGSV-UHFFFAOYSA-N
XLogP13.78
TPSA124.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.99
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 155138629
6-[2-(2-carbazol-9-ylphenyl)phenyl]pyridine-3-carbonitrile
CID 146542957
9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
CID 135130886
6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 155138624
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146542762
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
4-[3,4,5-tri(carbazol-9-yl)phenyl]benzonitrile
CID 129312949
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603

Frequently Asked Questions

What is the IUPAC name of 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile (CID 135136225) is 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2c(-c3ccc(C#N)cn3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-c2ccc(C#N)cn2)nc1.
What is the InChIKey of 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is MIRGGZLXYMUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N9/c61-31-37-25-28-46(64-34-37)55-56(47-29-26-38(32-62)35-65-47)58(67-49-19-7-1-13-40(49)41-14-2-8-20-50(41)67)60(69-53-23-11-5-17-44(53)45-18-6-12-24-54(45)69)59(57(55)48-30-27-39(33-63)36-66-48)68-51-21-9-3-15-42(51)43-16-4-10-22-52(43)68/h1-30,34-36H.
What are the key properties of 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile?
6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 879.99 g/mol, XLogP of 13.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135136225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).