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

C87H49N9 — CID 139538809

IUPAC5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(C#N)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C87H49N9/c88-50-53-41-54(51-89)43-56(42-53)87-85(95-81-37-33-57(91-73-25-9-1-17-61(73)62-18-2-10-26-74(62)91)46-69(81)70-47-58(34-38-82(70)95)92-75-27-11-3-19-63(75)64-20-4-12-28-76(64)92)44-55(52-90)45-86(87)96-83-39-35-59(93-77-29-13-5-21-65(77)66-22-6-14-30-78(66)93)48-71(83)72-49-60(36-40-84(72)96)94-79-31-15-7-23-67(79)68-24-8-16-32-80(68)94/h1-49H
InChIKeyVYKDRUCQIWYXED-UHFFFAOYSA-N
MW1220.41 g/mol
LogP21.55
Rot. Bonds7

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

5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 139538809) has the molecular formula C87H49N9 and a molecular weight of 1220.41 g/mol. Its IUPAC name is 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID139538809
Molecular FormulaC87H49N9
Molecular Weight1220.41 g/mol
Exact Mass1219.41
IUPAC Name5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(C#N)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C87H49N9/c88-50-53-41-54(51-89)43-56(42-53)87-85(95-81-37-33-57(91-73-25-9-1-17-61(73)62-18-2-10-26-74(62)91)46-69(81)70-47-58(34-38-82(70)95)92-75-27-11-3-19-63(75)64-20-4-12-28-76(64)92)44-55(52-90)45-86(87)96-83-39-35-59(93-77-29-13-5-21-65(77)66-22-6-14-30-78(66)93)48-71(83)72-49-60(36-40-84(72)96)94-79-31-15-7-23-67(79)68-24-8-16-32-80(68)94/h1-49H
InChIKeyVYKDRUCQIWYXED-UHFFFAOYSA-N
XLogP21.55
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001220.41
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129312878
4-[3-cyano-5-(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142508608
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
4-(4-cyano-2-methylphenyl)-3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142414150
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
4-(3-cyano-5-methylphenyl)-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 161196640
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
3,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 134427511
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (CID 139538809) is 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(C#N)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is VYKDRUCQIWYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H49N9/c88-50-53-41-54(51-89)43-56(42-53)87-85(95-81-37-33-57(91-73-25-9-1-17-61(73)62-18-2-10-26-74(62)91)46-69(81)70-47-58(34-38-82(70)95)92-75-27-11-3-19-63(75)64-20-4-12-28-76(64)92)44-55(52-90)45-86(87)96-83-39-35-59(93-77-29-13-5-21-65(77)66-22-6-14-30-78(66)93)48-71(83)72-49-60(36-40-84(72)96)94-79-31-15-7-23-67(79)68-24-8-16-32-80(68)94/h1-49H.
What are the key properties of 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 1220.41 g/mol, XLogP of 21.55, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139538809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).