4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile

C36H18N4O2 — CID 102507153

IUPAC4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C#N)c(C#N)c3)ccc3ccccc23)cc1C#N
InChIInChI=1S/C36H18N4O2/c37-19-25-9-13-29(17-27(25)21-39)41-33-15-11-23-5-1-3-7-31(23)35(33)36-32-8-4-2-6-24(32)12-16-34(36)42-30-14-10-26(20-38)28(18-30)22-40/h1-18H
InChIKeyFAMOZUQHWVHWEA-UHFFFAOYSA-N
MW538.57 g/mol
LogP8.73
Rot. Bonds5

About 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile

4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile (PubChem CID 102507153) has the molecular formula C36H18N4O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile
PubChem CID102507153
Molecular FormulaC36H18N4O2
Molecular Weight538.57 g/mol
Exact Mass538.14
IUPAC Name4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C#N)c(C#N)c3)ccc3ccccc23)cc1C#N
InChIInChI=1S/C36H18N4O2/c37-19-25-9-13-29(17-27(25)21-39)41-33-15-11-23-5-1-3-7-31(23)35(33)36-32-8-4-2-6-24(32)12-16-34(36)42-30-14-10-26(20-38)28(18-30)22-40/h1-18H
InChIKeyFAMOZUQHWVHWEA-UHFFFAOYSA-N
XLogP8.73
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-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

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
4-Methoxy-1-naphthonitrile
CID 80063
4-(4-Cumylphenoxy)phthalonitrile
CID 371798
3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 3980644
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
4-(Naphthalen-2-yloxy)-phthalonitrile
CID 746636
3-Amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
14-propyl-14H-dibenzo[a,j]xanthene
CID 277509
2-amino-4-(4-methoxy-3-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3261465
2-Methoxy-1-naphthonitrile
CID 85232
1,4-Dibutoxy-2,3-naphthalenedicarbonitrile
CID 4560580

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile (CID 102507153) is 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C#N)c(C#N)c3)ccc3ccccc23)cc1C#N.
What is the InChIKey of 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile?
The InChIKey is FAMOZUQHWVHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18N4O2/c37-19-25-9-13-29(17-27(25)21-39)41-33-15-11-23-5-1-3-7-31(23)35(33)36-32-8-4-2-6-24(32)12-16-34(36)42-30-14-10-26(20-38)28(18-30)22-40/h1-18H.
What are the key properties of 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile?
4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile has a molecular weight of 538.57 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,4-dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 102507153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).