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

C43H24FN3O — CID 129291110

IUPAC2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C43H24FN3O/c44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h1-24H
InChIKeyMSENODFHBHIRLR-UHFFFAOYSA-N
MW617.68 g/mol
LogP11.46
Rot. Bonds3

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

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile (PubChem CID 129291110) has the molecular formula C43H24FN3O and a molecular weight of 617.68 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
PubChem CID129291110
Molecular FormulaC43H24FN3O
Molecular Weight617.68 g/mol
Exact Mass617.19
IUPAC Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C43H24FN3O/c44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h1-24H
InChIKeyMSENODFHBHIRLR-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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Related Compounds

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
CID 155449823
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 157272378
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 140793986
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile (CID 129291110) is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is MSENODFHBHIRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24FN3O/c44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h1-24H.
What are the key properties of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile?
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]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 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 129291110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).