1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile

C76H40N8O2 — CID 157231717

IUPAC1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1C#N.N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C38H20N4O/c39-21-28-35-27-15-5-10-20-34(27)43-38(35)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)29(22-40)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41;39-21-28-29(22-40)38-35(27-15-5-10-20-34(27)43-38)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41/h2*1-20H
InChIKeyAUEKIMOYUHRUDG-UHFFFAOYSA-N
MW1097.21 g/mol
LogP19.05
Rot. Bonds4

About 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile

1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile (PubChem CID 157231717) has the molecular formula C76H40N8O2 and a molecular weight of 1097.21 g/mol. Its IUPAC name is 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile.

Molecular Properties

Compound Name1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile
PubChem CID157231717
Molecular FormulaC76H40N8O2
Molecular Weight1097.21 g/mol
Exact Mass1096.33
IUPAC Name1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1C#N.N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C38H20N4O/c39-21-28-35-27-15-5-10-20-34(27)43-38(35)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)29(22-40)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41;39-21-28-29(22-40)38-35(27-15-5-10-20-34(27)43-38)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41/h2*1-20H
InChIKeyAUEKIMOYUHRUDG-UHFFFAOYSA-N
XLogP19.05
TPSA141.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.21
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[3-[9-[7-(Trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 71278345
5,14,23-Trifluoro-9,18-diphenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 118634490
4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287687
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295576
9-[6,8-Di(carbazol-9-yl)dibenzofuran-2-yl]-6-fluorocarbazole-3-carbonitrile
CID 134343535
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381360
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381736
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381782
4,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381787

Frequently Asked Questions

What is the IUPAC name of 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile?
The IUPAC name of 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile (CID 157231717) is 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile.
What is the SMILES notation for 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile?
The canonical SMILES for 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1C#N.N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile?
The InChIKey is AUEKIMOYUHRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H20N4O/c39-21-28-35-27-15-5-10-20-34(27)43-38(35)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)29(22-40)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41;39-21-28-29(22-40)38-35(27-15-5-10-20-34(27)43-38)37(42-32-18-8-3-13-25(32)26-14-4-9-19-33(26)42)36(28)41-30-16-6-1-11-23(30)24-12-2-7-17-31(24)41/h2*1-20H.
What are the key properties of 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile?
1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile has a molecular weight of 1097.21 g/mol, XLogP of 19.05, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(carbazol-9-yl)dibenzofuran-3,4-dicarbonitrile;2,4-di(carbazol-9-yl)dibenzofuran-1,3-dicarbonitrile is sourced from PubChem (CID 157231717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).