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

C43H24FN3O — CID 129291104

IUPAC3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3cc(F)ccc32)c1
InChIInChI=1S/C43H24FN3O/c44-29-16-18-39-36(24-29)32-10-1-4-13-37(32)47(39)31-21-26(25-45)20-28(23-31)27-8-7-9-30(22-27)46-38-14-5-2-12-35(38)42-40(46)19-17-34-33-11-3-6-15-41(33)48-43(34)42/h1-24H
InChIKeyJLFBUTUSGNZSEZ-UHFFFAOYSA-N
MW617.68 g/mol
LogP11.46
Rot. Bonds3

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

3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile (PubChem CID 129291104) has the molecular formula C43H24FN3O and a molecular weight of 617.68 g/mol. Its IUPAC name is 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
PubChem CID129291104
Molecular FormulaC43H24FN3O
Molecular Weight617.68 g/mol
Exact Mass617.19
IUPAC Name3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3cc(F)ccc32)c1
InChIInChI=1S/C43H24FN3O/c44-29-16-18-39-36(24-29)32-10-1-4-13-37(32)47(39)31-21-26(25-45)20-28(23-31)27-8-7-9-30(22-27)46-38-14-5-2-12-35(38)42-40(46)19-17-34-33-11-3-6-15-41(33)48-43(34)42/h1-24H
InChIKeyJLFBUTUSGNZSEZ-UHFFFAOYSA-N
XLogP11.46
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.68
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile?
The IUPAC name of 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile (CID 129291104) is 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile is N#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3cc(F)ccc32)c1.
What is the InChIKey of 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile?
The InChIKey is JLFBUTUSGNZSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24FN3O/c44-29-16-18-39-36(24-29)32-10-1-4-13-37(32)47(39)31-21-26(25-45)20-28(23-31)27-8-7-9-30(22-27)46-38-14-5-2-12-35(38)42-40(46)19-17-34-33-11-3-6-15-41(33)48-43(34)42/h1-24H.
What are the key properties of 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile?
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile has a molecular weight of 617.68 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 129291104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).