2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile

C31H17BrN2O — CID 153411277

IUPAC2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(Br)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C31H17BrN2O/c32-21-15-20(23-8-2-1-7-19(23)18-33)16-22(17-21)34-27-11-5-3-10-26(27)30-28(34)14-13-25-24-9-4-6-12-29(24)35-31(25)30/h1-17H
InChIKeyMTHANXZBHSKGHS-UHFFFAOYSA-N
MW513.39 g/mol
LogP8.98
Rot. Bonds2

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

2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile (PubChem CID 153411277) has the molecular formula C31H17BrN2O and a molecular weight of 513.39 g/mol. Its IUPAC name is 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile
PubChem CID153411277
Molecular FormulaC31H17BrN2O
Molecular Weight513.39 g/mol
Exact Mass512.05
IUPAC Name2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(Br)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C31H17BrN2O/c32-21-15-20(23-8-2-1-7-19(23)18-33)16-22(17-21)34-27-11-5-3-10-26(27)30-28(34)14-13-25-24-9-4-6-12-29(24)35-31(25)30/h1-17H
InChIKeyMTHANXZBHSKGHS-UHFFFAOYSA-N
XLogP8.98
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.39
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
2-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 159371749
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile
CID 146543545
2-[3-[4,6-bis[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134601
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile?
The IUPAC name of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile (CID 153411277) is 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile.
What is the SMILES notation for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile?
The canonical SMILES for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile is N#Cc1ccccc1-c1cc(Br)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile?
The InChIKey is MTHANXZBHSKGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17BrN2O/c32-21-15-20(23-8-2-1-7-19(23)18-33)16-22(17-21)34-27-11-5-3-10-26(27)30-28(34)14-13-25-24-9-4-6-12-29(24)35-31(25)30/h1-17H.
What are the key properties of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile?
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile has a molecular weight of 513.39 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile is sourced from PubChem (CID 153411277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).