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

C64H34N8 — CID 102503556

IUPAC4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1c(C#N)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C64H34N8/c65-35-47-59(69-51-25-9-1-17-39(51)40-18-2-10-26-52(40)69)33-60(70-53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)48(36-66)63(47)64-49(37-67)61(71-55-29-13-5-21-43(55)44-22-6-14-30-56(44)71)34-62(50(64)38-68)72-57-31-15-7-23-45(57)46-24-8-16-32-58(46)72/h1-34H
InChIKeyYGEUDXACTLJBII-UHFFFAOYSA-N
MW915.03 g/mol
LogP15.23
Rot. Bonds5

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

4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 102503556) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID102503556
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1c(C#N)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C64H34N8/c65-35-47-59(69-51-25-9-1-17-39(51)40-18-2-10-26-52(40)69)33-60(70-53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)48(36-66)63(47)64-49(37-67)61(71-55-29-13-5-21-43(55)44-22-6-14-30-56(44)71)34-62(50(64)38-68)72-57-31-15-7-23-45(57)46-24-8-16-32-58(46)72/h1-34H
InChIKeyYGEUDXACTLJBII-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

4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
1,3-Bis(N-carbazolyl)benzene
CID 22020377
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
Bis(3,5-di(9H-carbazol-9-yl)phenyl)diphenylsilane
CID 59770816
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634
1,2-Bis(carbazol-9-yl)-4,5-dicyanobenzene
CID 101136486
3,4,5,6-Tetrakis(carbazol-9-yl)-1,2-dicyanobenzene
CID 101136487

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile (CID 102503556) is 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1c(C#N)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is YGEUDXACTLJBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-35-47-59(69-51-25-9-1-17-39(51)40-18-2-10-26-52(40)69)33-60(70-53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)48(36-66)63(47)64-49(37-67)61(71-55-29-13-5-21-43(55)44-22-6-14-30-56(44)71)34-62(50(64)38-68)72-57-31-15-7-23-45(57)46-24-8-16-32-58(46)72/h1-34H.
What are the key properties of 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile?
4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-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 4,6-di(carbazol-9-yl)-2-[3,5-di(carbazol-9-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 102503556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).