4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile

C52H30N4 — CID 164819632

IUPAC4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3ccccc23)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3ccccc23)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H30N4/c53-31-43-49(41-25-13-17-33-15-1-3-19-35(33)41)44(32-54)52(56-47-29-11-7-23-39(47)40-24-8-12-30-48(40)56)50(42-26-14-18-34-16-2-4-20-36(34)42)51(43)55-45-27-9-5-21-37(45)38-22-6-10-28-46(38)55/h1-30H
InChIKeyQSJMVKOUZUBIFA-UHFFFAOYSA-N
MW710.84 g/mol
LogP13.26
Rot. Bonds4

About 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile

4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile (PubChem CID 164819632) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
PubChem CID164819632
Molecular FormulaC52H30N4
Molecular Weight710.84 g/mol
Exact Mass710.25
IUPAC Name4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3ccccc23)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3ccccc23)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H30N4/c53-31-43-49(41-25-13-17-33-15-1-3-19-35(33)41)44(32-54)52(56-47-29-11-7-23-39(47)40-24-8-12-30-48(40)56)50(42-26-14-18-34-16-2-4-20-36(34)42)51(43)55-45-27-9-5-21-37(45)38-22-6-10-28-46(38)55/h1-30H
InChIKeyQSJMVKOUZUBIFA-UHFFFAOYSA-N
XLogP13.26
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-1-yl)benzene-1,4-dicarbonitrile
CID 164819616
2,5-di(carbazol-9-yl)-3,6-bis(4-methylphenyl)benzene-1,4-dicarbonitrile
CID 147058731
4,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-2,5-di(dibenzofuran-1-yl)benzene-1,3-dicarbonitrile
CID 167165670
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,5-bis(benzo[a]carbazol-11-yl)-4,6-di(carbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167257765
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
4,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2,5-di(dibenzothiophen-1-yl)benzene-1,3-dicarbonitrile
CID 164819827
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile (CID 164819632) is 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2cccc3ccccc23)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2cccc3ccccc23)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile?
The InChIKey is QSJMVKOUZUBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4/c53-31-43-49(41-25-13-17-33-15-1-3-19-35(33)41)44(32-54)52(56-47-29-11-7-23-39(47)40-24-8-12-30-48(40)56)50(42-26-14-18-34-16-2-4-20-36(34)42)51(43)55-45-27-9-5-21-37(45)38-22-6-10-28-46(38)55/h1-30H.
What are the key properties of 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile?
4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile has a molecular weight of 710.84 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 164819632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).