9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

C37H20N2O2 — CID 149138143

IUPAC9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1
InChIInChI=1S/C37H20N2O2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-28-36-24(9-6-14-35(36)41-37(28)31)23-16-18-34-29(20-23)27-8-2-4-13-33(27)40-34/h1-20H
InChIKeyRFYZSXICAGPJKB-UHFFFAOYSA-N
MW524.58 g/mol
LogP10.12
Rot. Bonds2

About 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (PubChem CID 149138143) has the molecular formula C37H20N2O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
PubChem CID149138143
Molecular FormulaC37H20N2O2
Molecular Weight524.58 g/mol
Exact Mass524.15
IUPAC Name9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1
InChIInChI=1S/C37H20N2O2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-28-36-24(9-6-14-35(36)41-37(28)31)23-16-18-34-29(20-23)27-8-2-4-13-33(27)40-34/h1-20H
InChIKeyRFYZSXICAGPJKB-UHFFFAOYSA-N
XLogP10.12
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile (CID 149138143) is 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5ccc6oc7ccccc7c6c5)c34)c2c1.
What is the InChIKey of 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
The InChIKey is RFYZSXICAGPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2O2/c38-21-22-15-17-26-25-7-1-3-11-30(25)39(32(26)19-22)31-12-5-10-28-36-24(9-6-14-35(36)41-37(28)31)23-16-18-34-29(20-23)27-8-2-4-13-33(27)40-34/h1-20H.
What are the key properties of 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile?
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile has a molecular weight of 524.58 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 149138143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).