2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile

C64H34N8 — CID 129312874

IUPAC2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2C#N)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H34N8/c65-35-49-47(33-61(69-53-25-9-1-17-39(53)40-18-2-10-26-54(40)69)51(37-67)63(49)71-57-29-13-5-21-43(57)44-22-6-14-30-58(44)71)48-34-62(70-55-27-11-3-19-41(55)42-20-4-12-28-56(42)70)52(38-68)64(50(48)36-66)72-59-31-15-7-23-45(59)46-24-8-16-32-60(46)72/h1-34H
InChIKeyAAZVPJYJOZPMMH-UHFFFAOYSA-N
MW915.03 g/mol
LogP15.23
Rot. Bonds5

About 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile

2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 129312874) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID129312874
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2C#N)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H34N8/c65-35-49-47(33-61(69-53-25-9-1-17-39(53)40-18-2-10-26-54(40)69)51(37-67)63(49)71-57-29-13-5-21-43(57)44-22-6-14-30-58(44)71)48-34-62(70-55-27-11-3-19-41(55)42-20-4-12-28-56(42)70)52(38-68)64(50(48)36-66)72-59-31-15-7-23-45(59)46-24-8-16-32-60(46)72/h1-34H
InChIKeyAAZVPJYJOZPMMH-UHFFFAOYSA-N
XLogP15.23
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile
CID 155131777
3-isocyano-2,4,6-tris(1,2,3,4-tetradeuteriocarbazol-9-yl)benzonitrile
CID 164927520
4,6-di(carbazol-9-yl)-5-[2,6-di(carbazol-9-yl)-3,4,5-tricyanophenyl]benzene-1,2,3-tricarbonitrile
CID 129312900
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
2,4,6-tris(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,3-dicarbonitrile
CID 167303715
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523829
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121329133
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile (CID 129312874) is 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1c(-c2cc(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2C#N)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is AAZVPJYJOZPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-35-49-47(33-61(69-53-25-9-1-17-39(53)40-18-2-10-26-54(40)69)51(37-67)63(49)71-57-29-13-5-21-43(57)44-22-6-14-30-58(44)71)48-34-62(70-55-27-11-3-19-41(55)42-20-4-12-28-56(42)70)52(38-68)64(50(48)36-66)72-59-31-15-7-23-45(59)46-24-8-16-32-60(46)72/h1-34H.
What are the key properties of 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile?
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 915.03 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 129312874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).