4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile

C41H24N6O — CID 140966591

IUPAC4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
SMILESN#Cc1c(-c2cccnc2)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C41H24N6O/c42-21-32-35(26-9-5-17-43-22-26)37(28-11-7-19-45-24-28)40(38(29-12-8-20-46-25-29)36(32)27-10-6-18-44-23-27)47-33-15-3-1-13-30(33)39-31-14-2-4-16-34(31)48-41(39)47/h1-20,22-25H
InChIKeyHPPZNNWVFBHFCZ-UHFFFAOYSA-N
MW616.68 g/mol
LogP9.65
Rot. Bonds5

About 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile

4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile (PubChem CID 140966591) has the molecular formula C41H24N6O and a molecular weight of 616.68 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
PubChem CID140966591
Molecular FormulaC41H24N6O
Molecular Weight616.68 g/mol
Exact Mass616.20
IUPAC Name4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
SMILESN#Cc1c(-c2cccnc2)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C41H24N6O/c42-21-32-35(26-9-5-17-43-22-26)37(28-11-7-19-45-24-28)40(38(29-12-8-20-46-25-29)36(32)27-10-6-18-44-23-27)47-33-15-3-1-13-30(33)39-31-14-2-4-16-34(31)48-41(39)47/h1-20,22-25H
InChIKeyHPPZNNWVFBHFCZ-UHFFFAOYSA-N
XLogP9.65
TPSA93.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
CID 140966566
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(dibenzothiophen-2-yl)benzonitrile
CID 139441526
5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
CID 135135944
4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
CID 135130976
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 150579006
3-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3-cyano-5-isocyanophenyl)phenyl]-5-isocyanobenzonitrile
CID 140878308
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-4,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848562
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-1-yl)benzene-1,4-dicarbonitrile
CID 164819616
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile?
The IUPAC name of 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile (CID 140966591) is 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile?
The canonical SMILES for 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile is N#Cc1c(-c2cccnc2)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c1-c1cccnc1.
What is the InChIKey of 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile?
The InChIKey is HPPZNNWVFBHFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6O/c42-21-32-35(26-9-5-17-43-22-26)37(28-11-7-19-45-24-28)40(38(29-12-8-20-46-25-29)36(32)27-10-6-18-44-23-27)47-33-15-3-1-13-30(33)39-31-14-2-4-16-34(31)48-41(39)47/h1-20,22-25H.
What are the key properties of 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile?
4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile has a molecular weight of 616.68 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile is sourced from PubChem (CID 140966591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).