9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile

C39H21N3O — CID 126754808

IUPAC9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
SMILESC#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c12
InChIInChI=1S/C39H21N3O/c1-2-24-17-19-34-29(21-24)26-9-4-6-13-32(26)42(34)36-15-7-11-28-38-35(14-8-16-37(38)43-39(28)36)41-31-12-5-3-10-27(31)30-22-25(23-40)18-20-33(30)41/h1,3-22H
InChIKeySLTGVRHWKORTTE-UHFFFAOYSA-N
MW547.62 g/mol
LogP9.63
Rot. Bonds2

About 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile

9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile (PubChem CID 126754808) has the molecular formula C39H21N3O and a molecular weight of 547.62 g/mol. Its IUPAC name is 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
PubChem CID126754808
Molecular FormulaC39H21N3O
Molecular Weight547.62 g/mol
Exact Mass547.17
IUPAC Name9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
SMILESC#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c12
InChIInChI=1S/C39H21N3O/c1-2-24-17-19-34-29(21-24)26-9-4-6-13-32(26)42(34)36-15-7-11-28-38-35(14-8-16-37(38)43-39(28)36)41-31-12-5-3-10-27(31)30-22-25(23-40)18-20-33(30)41/h1,3-22H
InChIKeySLTGVRHWKORTTE-UHFFFAOYSA-N
XLogP9.63
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole-4-carbonitrile
CID 118396651
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 153204329
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile (CID 126754808) is 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile is C#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1cccc(-n3c4ccccc4c4cc(C#N)ccc43)c12.
What is the InChIKey of 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile?
The InChIKey is SLTGVRHWKORTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21N3O/c1-2-24-17-19-34-29(21-24)26-9-4-6-13-32(26)42(34)36-15-7-11-28-38-35(14-8-16-37(38)43-39(28)36)41-31-12-5-3-10-27(31)30-22-25(23-40)18-20-33(30)41/h1,3-22H.
What are the key properties of 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile?
9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile has a molecular weight of 547.62 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 126754808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).