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

C50H28N6O2 — CID 140966566

IUPAC3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
SMILESN#Cc1c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c1-c1cccnc1
InChIInChI=1S/C50H28N6O2/c51-26-37-42(30-12-9-23-52-27-30)47(55-38-19-5-1-15-33(38)45-35-17-3-7-21-40(35)57-49(45)55)44(32-14-11-25-54-29-32)48(43(37)31-13-10-24-53-28-31)56-39-20-6-2-16-34(39)46-36-18-4-8-22-41(36)58-50(46)56/h1-25,27-29H
InChIKeyYCLCYCMWBMUBRF-UHFFFAOYSA-N
MW744.81 g/mol
LogP12.43
Rot. Bonds5

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

3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile (PubChem CID 140966566) has the molecular formula C50H28N6O2 and a molecular weight of 744.81 g/mol. Its IUPAC name is 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
PubChem CID140966566
Molecular FormulaC50H28N6O2
Molecular Weight744.81 g/mol
Exact Mass744.23
IUPAC Name3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
SMILESN#Cc1c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c1-c1cccnc1
InChIInChI=1S/C50H28N6O2/c51-26-37-42(30-12-9-23-52-27-30)47(55-38-19-5-1-15-33(38)45-35-17-3-7-21-40(35)57-49(45)55)44(32-14-11-25-54-29-32)48(43(37)31-13-10-24-53-28-31)56-39-20-6-2-16-34(39)46-36-18-4-8-22-41(36)58-50(46)56/h1-25,27-29H
InChIKeyYCLCYCMWBMUBRF-UHFFFAOYSA-N
XLogP12.43
TPSA98.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.81
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile with MolForge

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Related Compounds

4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
CID 140966591
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
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
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
CID 135130976
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960
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
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-1-yl)benzene-1,4-dicarbonitrile
CID 164819616
3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
CID 139441514

Frequently Asked Questions

What is the IUPAC name of 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile?
The IUPAC name of 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile (CID 140966566) is 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile.
What is the SMILES notation for 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile?
The canonical SMILES for 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile is N#Cc1c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c(-c2cccnc2)c(-n2c3ccccc3c3c4ccccc4oc32)c1-c1cccnc1.
What is the InChIKey of 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile?
The InChIKey is YCLCYCMWBMUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O2/c51-26-37-42(30-12-9-23-52-27-30)47(55-38-19-5-1-15-33(38)45-35-17-3-7-21-40(35)57-49(45)55)44(32-14-11-25-54-29-32)48(43(37)31-13-10-24-53-28-31)56-39-20-6-2-16-34(39)46-36-18-4-8-22-41(36)58-50(46)56/h1-25,27-29H.
What are the key properties of 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile?
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile has a molecular weight of 744.81 g/mol, XLogP of 12.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile is sourced from PubChem (CID 140966566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).