2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile

C36H21N3O — CID 146543626

IUPAC2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)c2)c1
InChIInChI=1S/C36H21N3O/c37-22-23-15-16-38-32(17-23)26-9-5-7-24(18-26)25-8-6-10-27(19-25)39-33-13-3-1-11-28(33)30-20-31-29-12-2-4-14-35(29)40-36(31)21-34(30)39/h1-21H
InChIKeyFJHCCKAFEHYZJX-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.28
Rot. Bonds3

About 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile

2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile (PubChem CID 146543626) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile
PubChem CID146543626
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)c2)c1
InChIInChI=1S/C36H21N3O/c37-22-23-15-16-38-32(17-23)26-9-5-7-24(18-26)25-8-6-10-27(19-25)39-33-13-3-1-11-28(33)30-20-31-29-12-2-4-14-35(29)40-36(31)21-34(30)39/h1-21H
InChIKeyFJHCCKAFEHYZJX-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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Related Compounds

2-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146543126
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
4-[3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]pyridine-2-carbonitrile;2-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyridine-4-carbonitrile;6-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyridine-2-carbonitrile;6-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyridine-3-carbonitrile
CID 159603986
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922255
7-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 134237088
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
2-[3-(2-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543414
9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile (CID 146543626) is 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)c2)c1.
What is the InChIKey of 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The InChIKey is FJHCCKAFEHYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c37-22-23-15-16-38-32(17-23)26-9-5-7-24(18-26)25-8-6-10-27(19-25)39-33-13-3-1-11-28(33)30-20-31-29-12-2-4-14-35(29)40-36(31)21-34(30)39/h1-21H.
What are the key properties of 2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile?
2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile 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-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146543626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).