2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile

C124H72N8O4 — CID 161435826

IUPAC2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/4C31H18N2O/c32-19-21-8-7-12-22(20-16-17-26-25-11-3-6-15-29(25)34-30(26)18-20)31(21)33-27-13-4-1-9-23(27)24-10-2-5-14-28(24)33;32-19-21-8-7-14-28(33-26-12-4-1-9-22(26)23-10-2-5-13-27(23)33)31(21)20-16-17-25-24-11-3-6-15-29(24)34-30(25)18-20;32-19-20-13-16-29(33-27-10-4-1-7-22(27)23-8-2-5-11-28(23)33)26(17-20)21-14-15-25-24-9-3-6-12-30(24)34-31(25)18-21;32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h4*1-18H
InChIKeyVYQBJTVNZROCJH-UHFFFAOYSA-N
MW1737.99 g/mol
LogP32.89
Rot. Bonds8

About 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile

2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile (PubChem CID 161435826) has the molecular formula C124H72N8O4 and a molecular weight of 1737.99 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile
PubChem CID161435826
Molecular FormulaC124H72N8O4
Molecular Weight1737.99 g/mol
Exact Mass1736.57
IUPAC Name2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/4C31H18N2O/c32-19-21-8-7-12-22(20-16-17-26-25-11-3-6-15-29(25)34-30(26)18-20)31(21)33-27-13-4-1-9-23(27)24-10-2-5-14-28(24)33;32-19-21-8-7-14-28(33-26-12-4-1-9-22(26)23-10-2-5-13-27(23)33)31(21)20-16-17-25-24-11-3-6-15-29(24)34-30(25)18-20;32-19-20-13-16-29(33-27-10-4-1-7-22(27)23-8-2-5-11-28(23)33)26(17-20)21-14-15-25-24-9-3-6-12-30(24)34-31(25)18-21;32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h4*1-18H
InChIKeyVYQBJTVNZROCJH-UHFFFAOYSA-N
XLogP32.89
TPSA167.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.99
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile (CID 161435826) is 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile is N#Cc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)oc2ccccc23)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccccc23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile?
The InChIKey is VYQBJTVNZROCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C31H18N2O/c32-19-21-8-7-12-22(20-16-17-26-25-11-3-6-15-29(25)34-30(26)18-20)31(21)33-27-13-4-1-9-23(27)24-10-2-5-14-28(24)33;32-19-21-8-7-14-28(33-26-12-4-1-9-22(26)23-10-2-5-13-27(23)33)31(21)20-16-17-25-24-11-3-6-15-29(24)34-30(25)18-20;32-19-20-13-16-29(33-27-10-4-1-7-22(27)23-8-2-5-11-28(23)33)26(17-20)21-14-15-25-24-9-3-6-12-30(24)34-31(25)18-21;32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h4*1-18H.
What are the key properties of 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile?
2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile has a molecular weight of 1737.99 g/mol, XLogP of 32.89, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile is sourced from PubChem (CID 161435826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).