5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile

C36H17N5O — CID 135135944

IUPAC5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc(-c3cc(C#N)cc(C#N)c3)c2-n2c3ccccc3c3c4ccccc4oc32)c1
InChIInChI=1S/C36H17N5O/c37-18-22-12-23(19-38)15-26(14-22)28-8-5-9-29(27-16-24(20-39)13-25(17-27)21-40)35(28)41-32-10-3-1-6-30(32)34-31-7-2-4-11-33(31)42-36(34)41/h1-17H
InChIKeyLDEMVLZBILIZSJ-UHFFFAOYSA-N
MW535.57 g/mol
LogP8.35
Rot. Bonds3

About 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile

5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 135135944) has the molecular formula C36H17N5O and a molecular weight of 535.57 g/mol. Its IUPAC name is 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID135135944
Molecular FormulaC36H17N5O
Molecular Weight535.57 g/mol
Exact Mass535.14
IUPAC Name5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc(-c3cc(C#N)cc(C#N)c3)c2-n2c3ccccc3c3c4ccccc4oc32)c1
InChIInChI=1S/C36H17N5O/c37-18-22-12-23(19-38)15-26(14-22)28-8-5-9-29(27-16-24(20-39)13-25(17-27)21-40)35(28)41-32-10-3-1-6-30(32)34-31-7-2-4-11-33(31)42-36(34)41/h1-17H
InChIKeyLDEMVLZBILIZSJ-UHFFFAOYSA-N
XLogP8.35
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.57
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3-cyano-5-isocyanophenyl)phenyl]-5-isocyanobenzonitrile
CID 140878308
4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
CID 135130976
2-carbazol-9-yl-3-[3-cyano-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 129300180
3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129300177
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
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
CID 140966566
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764
3-[3-cyano-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163634087
4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508601
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654

Frequently Asked Questions

What is the IUPAC name of 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile (CID 135135944) is 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cccc(-c3cc(C#N)cc(C#N)c3)c2-n2c3ccccc3c3c4ccccc4oc32)c1.
What is the InChIKey of 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is LDEMVLZBILIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H17N5O/c37-18-22-12-23(19-38)15-26(14-22)28-8-5-9-29(27-16-24(20-39)13-25(17-27)21-40)35(28)41-32-10-3-1-6-30(32)34-31-7-2-4-11-33(31)42-36(34)41/h1-17H.
What are the key properties of 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile?
5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 535.57 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 135135944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).