4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile

C48H26N4O2 — CID 135130976

IUPAC4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5oc43)c(-n3c4ccccc4c4c5ccccc5oc43)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C48H26N4O2/c49-27-29-17-21-31(22-18-29)37-25-41(51-39-13-5-1-9-33(39)45-35-11-3-7-15-43(35)53-47(45)51)42(26-38(37)32-23-19-30(28-50)20-24-32)52-40-14-6-2-10-34(40)46-36-12-4-8-16-44(36)54-48(46)52/h1-26H
InChIKeyQQRQQTHNXQBGSB-UHFFFAOYSA-N
MW690.76 g/mol
LogP12.45
Rot. Bonds4

About 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile

4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile (PubChem CID 135130976) has the molecular formula C48H26N4O2 and a molecular weight of 690.76 g/mol. Its IUPAC name is 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
PubChem CID135130976
Molecular FormulaC48H26N4O2
Molecular Weight690.76 g/mol
Exact Mass690.21
IUPAC Name4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5oc43)c(-n3c4ccccc4c4c5ccccc5oc43)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C48H26N4O2/c49-27-29-17-21-31(22-18-29)37-25-41(51-39-13-5-1-9-33(39)45-35-11-3-7-15-43(35)53-47(45)51)42(26-38(37)32-23-19-30(28-50)20-24-32)52-40-14-6-2-10-34(40)46-36-12-4-8-16-44(36)54-48(46)52/h1-26H
InChIKeyQQRQQTHNXQBGSB-UHFFFAOYSA-N
XLogP12.45
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.76
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile 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

5-[2-([1]benzofuro[2,3-b]indol-6-yl)-3-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
CID 135135944
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
4-[5-(4-cyanophenyl)-2,4-dimethyl-3,6-bis(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 139553225
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(dibenzothiophen-2-yl)benzonitrile
CID 139441526
4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 164821868
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
CID 140966591
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
4-carbazol-9-yl-3-[5-methyl-2-(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 155299361
4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508601
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile (CID 135130976) is 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5ccccc5oc43)c(-n3c4ccccc4c4c5ccccc5oc43)cc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile?
The InChIKey is QQRQQTHNXQBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N4O2/c49-27-29-17-21-31(22-18-29)37-25-41(51-39-13-5-1-9-33(39)45-35-11-3-7-15-43(35)53-47(45)51)42(26-38(37)32-23-19-30(28-50)20-24-32)52-40-14-6-2-10-34(40)46-36-12-4-8-16-44(36)54-48(46)52/h1-26H.
What are the key properties of 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile?
4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile has a molecular weight of 690.76 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2-(4-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 135130976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).