3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C64H34N8 — CID 134302096

IUPAC3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C64H34N8/c65-35-40-29-62(71-58-31-42(50-13-5-1-9-46(50)36-66)17-21-54(58)55-22-18-43(32-59(55)71)51-14-6-2-10-47(51)37-67)64(41-25-27-70-28-26-41)63(30-40)72-60-33-44(52-15-7-3-11-48(52)38-68)19-23-56(60)57-24-20-45(34-61(57)72)53-16-8-4-12-49(53)39-69/h1-34H
InChIKeyYCWIQPQKLQKTIV-UHFFFAOYSA-N
MW915.03 g/mol
LogP14.97
Rot. Bonds7

About 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134302096) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134302096
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1
InChIInChI=1S/C64H34N8/c65-35-40-29-62(71-58-31-42(50-13-5-1-9-46(50)36-66)17-21-54(58)55-22-18-43(32-59(55)71)51-14-6-2-10-47(51)37-67)64(41-25-27-70-28-26-41)63(30-40)72-60-33-44(52-15-7-3-11-48(52)38-68)19-23-56(60)57-24-20-45(34-61(57)72)53-16-8-4-12-49(53)39-69/h1-34H
InChIKeyYCWIQPQKLQKTIV-UHFFFAOYSA-N
XLogP14.97
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296240
2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
CID 166057505
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302206
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296232
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146237996

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134302096) is 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)c1.
What is the InChIKey of 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is YCWIQPQKLQKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-35-40-29-62(71-58-31-42(50-13-5-1-9-46(50)36-66)17-21-54(58)55-22-18-43(32-59(55)71)51-14-6-2-10-47(51)37-67)64(41-25-27-70-28-26-41)63(30-40)72-60-33-44(52-15-7-3-11-48(52)38-68)19-23-56(60)57-24-20-45(34-61(57)72)53-16-8-4-12-49(53)39-69/h1-34H.
What are the key properties of 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 915.03 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134302096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).