2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile

C56H32N6 — CID 146026551

IUPAC2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(C#N)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C56H32N6/c57-29-43-49(39-21-9-17-35-31-13-1-5-25-45(31)59-53(35)39)44(30-58)51(41-23-11-19-37-33-15-3-7-27-47(33)61-55(37)41)52(42-24-12-20-38-34-16-4-8-28-48(34)62-56(38)42)50(43)40-22-10-18-36-32-14-2-6-26-46(32)60-54(36)40/h1-28,59-62H
InChIKeyUDJSNDZZNASIPD-UHFFFAOYSA-N
MW788.91 g/mol
LogP14.64
Rot. Bonds4

About 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile

2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 146026551) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile
PubChem CID146026551
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(C#N)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C56H32N6/c57-29-43-49(39-21-9-17-35-31-13-1-5-25-45(31)59-53(35)39)44(30-58)51(41-23-11-19-37-33-15-3-7-27-47(33)61-55(37)41)52(42-24-12-20-38-34-16-4-8-28-48(34)62-56(38)42)50(43)40-22-10-18-36-32-14-2-6-26-46(32)60-54(36)40/h1-28,59-62H
InChIKeyUDJSNDZZNASIPD-UHFFFAOYSA-N
XLogP14.64
TPSA110.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 514.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile (CID 146026551) is 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile is N#Cc1c(-c2cccc3c2[nH]c2ccccc23)c(C#N)c(-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is UDJSNDZZNASIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c57-29-43-49(39-21-9-17-35-31-13-1-5-25-45(31)59-53(35)39)44(30-58)51(41-23-11-19-37-33-15-3-7-27-47(33)61-55(37)41)52(42-24-12-20-38-34-16-4-8-28-48(34)62-56(38)42)50(43)40-22-10-18-36-32-14-2-6-26-46(32)60-54(36)40/h1-28,59-62H.
What are the key properties of 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile?
2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 788.91 g/mol, XLogP of 14.64, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrakis(9H-carbazol-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146026551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).