4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile

C40H24N4O2 — CID 130443198

IUPAC4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2-n2c3ccccc3c3c4ccccc4n(-c4ccccc4Oc4ccc(C#N)cc4)c32)cc1
InChIInChI=1S/C40H24N4O2/c41-25-27-17-21-29(22-18-27)45-37-15-7-5-13-35(37)43-33-11-3-1-9-31(33)39-32-10-2-4-12-34(32)44(40(39)43)36-14-6-8-16-38(36)46-30-23-19-28(26-42)20-24-30/h1-24H
InChIKeyTXZNYXYEWPMUNB-UHFFFAOYSA-N
MW592.66 g/mol
LogP10.06
Rot. Bonds6

About 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile

4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile (PubChem CID 130443198) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile
PubChem CID130443198
Molecular FormulaC40H24N4O2
Molecular Weight592.66 g/mol
Exact Mass592.19
IUPAC Name4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2-n2c3ccccc3c3c4ccccc4n(-c4ccccc4Oc4ccc(C#N)cc4)c32)cc1
InChIInChI=1S/C40H24N4O2/c41-25-27-17-21-29(22-18-27)45-37-15-7-5-13-35(37)43-33-11-3-1-9-31(33)39-32-10-2-4-12-34(32)44(40(39)43)36-14-6-8-16-38(36)46-30-23-19-28(26-42)20-24-30/h1-24H
InChIKeyTXZNYXYEWPMUNB-UHFFFAOYSA-N
XLogP10.06
TPSA75.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]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-(4-isocyanophenoxy)phenyl]-6-phenylindolo[2,3-b]indole
CID 153320384
2,6-bis(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)benzene-1,4-dicarbonitrile
CID 135255603
4-(1,2-dioxoacenaphthylen-5-yl)oxybenzonitrile
CID 4558065
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
CID 175999058
4-[3,4,5-tri(carbazol-9-yl)phenyl]benzonitrile
CID 129312949
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4-(N-[3-carbazol-9-yl-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-4-cyanoanilino)benzonitrile
CID 154990024
4-[2-(furan-2-yl)phenoxy]benzonitrile
CID 168525428
4-[4-naphthalen-2-yl-6-[3-(8-thia-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15,17,19-decaen-21-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 176627880
2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
CID 139351874

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile?
The IUPAC name of 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile (CID 130443198) is 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile.
What is the SMILES notation for 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile?
The canonical SMILES for 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile is N#Cc1ccc(Oc2ccccc2-n2c3ccccc3c3c4ccccc4n(-c4ccccc4Oc4ccc(C#N)cc4)c32)cc1.
What is the InChIKey of 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile?
The InChIKey is TXZNYXYEWPMUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2/c41-25-27-17-21-29(22-18-27)45-37-15-7-5-13-35(37)43-33-11-3-1-9-31(33)39-32-10-2-4-12-34(32)44(40(39)43)36-14-6-8-16-38(36)46-30-23-19-28(26-42)20-24-30/h1-24H.
What are the key properties of 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile?
4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile has a molecular weight of 592.66 g/mol, XLogP of 10.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(4-cyanophenoxy)phenyl]indolo[2,3-b]indol-6-yl]phenoxy]benzonitrile is sourced from PubChem (CID 130443198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).