2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile

C53H26Cl6N6 — CID 158006006

IUPAC2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile
SMILESN#Cc1c(Cl)c(-n2c3ccccc3c3ccccc32)c(C#N)c(Cl)c1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C32H16Cl2N4.C13H10.C8Cl4N2/c33-29-24(18-36)32(38-27-15-7-3-11-21(27)22-12-4-8-16-28(22)38)30(34)23(17-35)31(29)37-25-13-5-1-9-19(25)20-10-2-6-14-26(20)37;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-16H;1-8H,9H2;
InChIKeyFEHLRCJAOUBDSN-UHFFFAOYSA-N
MW959.55 g/mol
LogP16.23
Rot. Bonds2

About 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile

2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile (PubChem CID 158006006) has the molecular formula C53H26Cl6N6 and a molecular weight of 959.55 g/mol. Its IUPAC name is 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile
PubChem CID158006006
Molecular FormulaC53H26Cl6N6
Molecular Weight959.55 g/mol
Exact Mass956.04
IUPAC Name2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile
SMILESN#Cc1c(Cl)c(-n2c3ccccc3c3ccccc32)c(C#N)c(Cl)c1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C32H16Cl2N4.C13H10.C8Cl4N2/c33-29-24(18-36)32(38-27-15-7-3-11-21(27)22-12-4-8-16-28(22)38)30(34)23(17-35)31(29)37-25-13-5-1-9-19(25)20-10-2-6-14-26(20)37;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-16H;1-8H,9H2;
InChIKeyFEHLRCJAOUBDSN-UHFFFAOYSA-N
XLogP16.23
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.55
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
CID 164819632
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
2,3,4,5-tetra(carbazol-9-yl)-6-methylbenzonitrile
CID 152927198
4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
CID 159567553
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;9H-fluorene;2,3,5,6-tetra(carbazol-9-yl)-4-(4-cyanophenyl)benzonitrile
CID 157379923
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
2,3,5,6-tetra(carbazol-9-yl)-4-(2-phenylethynyl)benzonitrile
CID 121303121

Frequently Asked Questions

What is the IUPAC name of 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile (CID 158006006) is 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile is N#Cc1c(Cl)c(-n2c3ccccc3c3ccccc32)c(C#N)c(Cl)c1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile?
The InChIKey is FEHLRCJAOUBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16Cl2N4.C13H10.C8Cl4N2/c33-29-24(18-36)32(38-27-15-7-3-11-21(27)22-12-4-8-16-28(22)38)30(34)23(17-35)31(29)37-25-13-5-1-9-19(25)20-10-2-6-14-26(20)37;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-16H;1-8H,9H2;.
What are the key properties of 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile?
2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile has a molecular weight of 959.55 g/mol, XLogP of 16.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(carbazol-9-yl)-3,6-dichlorobenzene-1,4-dicarbonitrile;9H-fluorene;2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile is sourced from PubChem (CID 158006006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).