4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile

C30H17N3O — CID 145345105

IUPAC4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1
InChIInChI=1S/C30H17N3O/c31-18-19-12-14-20(15-13-19)21-16-17-32-28-24-8-5-11-27(29(24)34-30(21)28)33-25-9-3-1-6-22(25)23-7-2-4-10-26(23)33/h1-17H
InChIKeyXLQQCDZAEGKURD-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.62
Rot. Bonds2

About 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile

4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile (PubChem CID 145345105) has the molecular formula C30H17N3O and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile
PubChem CID145345105
Molecular FormulaC30H17N3O
Molecular Weight435.49 g/mol
Exact Mass435.14
IUPAC Name4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccnc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1
InChIInChI=1S/C30H17N3O/c31-18-19-12-14-20(15-13-19)21-16-17-32-28-24-8-5-11-27(29(24)34-30(21)28)33-25-9-3-1-6-22(25)23-7-2-4-10-26(23)33/h1-17H
InChIKeyXLQQCDZAEGKURD-UHFFFAOYSA-N
XLogP7.62
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160763553
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 142336416
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
CID 126754808
2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543414

Frequently Asked Questions

What is the IUPAC name of 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile?
The IUPAC name of 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile (CID 145345105) is 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile.
What is the SMILES notation for 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile?
The canonical SMILES for 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile is N#Cc1ccc(-c2ccnc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1.
What is the InChIKey of 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile?
The InChIKey is XLQQCDZAEGKURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3O/c31-18-19-12-14-20(15-13-19)21-16-17-32-28-24-8-5-11-27(29(24)34-30(21)28)33-25-9-3-1-6-22(25)23-7-2-4-10-26(23)33/h1-17H.
What are the key properties of 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile?
4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile has a molecular weight of 435.49 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile is sourced from PubChem (CID 145345105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).