5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile

C43H25N3O — CID 129290845

IUPAC5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N3O/c44-26-29-25-28(19-23-36(29)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46)27-17-20-30(21-18-27)45-39-15-7-3-12-35(39)42-40(45)24-22-34-33-11-4-8-16-41(33)47-43(34)42/h1-25H
InChIKeyXZKZXLHYNUBVPM-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile

5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile (PubChem CID 129290845) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
PubChem CID129290845
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N3O/c44-26-29-25-28(19-23-36(29)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46)27-17-20-30(21-18-27)45-39-15-7-3-12-35(39)42-40(45)24-22-34-33-11-4-8-16-41(33)47-43(34)42/h1-25H
InChIKeyXZKZXLHYNUBVPM-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile?
The IUPAC name of 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile (CID 129290845) is 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile?
The canonical SMILES for 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile?
The InChIKey is XZKZXLHYNUBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-29-25-28(19-23-36(29)46-37-13-5-1-9-31(37)32-10-2-6-14-38(32)46)27-17-20-30(21-18-27)45-39-15-7-3-12-35(39)42-40(45)24-22-34-33-11-4-8-16-41(33)47-43(34)42/h1-25H.
What are the key properties of 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile?
5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 129290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).