2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile

C36H21N3O — CID 126577721

IUPAC2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile
SMILESN#Cc1c(-c2ccccn2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H21N3O/c37-22-30-25(31-12-7-8-20-38-31)18-17-24(23-16-19-35-29(21-23)28-11-3-6-15-34(28)40-35)36(30)39-32-13-4-1-9-26(32)27-10-2-5-14-33(27)39/h1-21H
InChIKeyBEVIUBLVAFYYSI-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.28
Rot. Bonds3

About 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile

2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile (PubChem CID 126577721) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile
PubChem CID126577721
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile
SMILESN#Cc1c(-c2ccccn2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H21N3O/c37-22-30-25(31-12-7-8-20-38-31)18-17-24(23-16-19-35-29(21-23)28-11-3-6-15-34(28)40-35)36(30)39-32-13-4-1-9-26(32)27-10-2-5-14-33(27)39/h1-21H
InChIKeyBEVIUBLVAFYYSI-UHFFFAOYSA-N
XLogP9.28
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile (CID 126577721) is 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile is N#Cc1c(-c2ccccn2)ccc(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile?
The InChIKey is BEVIUBLVAFYYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c37-22-30-25(31-12-7-8-20-38-31)18-17-24(23-16-19-35-29(21-23)28-11-3-6-15-34(28)40-35)36(30)39-32-13-4-1-9-26(32)27-10-2-5-14-33(27)39/h1-21H.
What are the key properties of 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile?
2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile has a molecular weight of 511.58 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-2-ylbenzonitrile is sourced from PubChem (CID 126577721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).