2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile

C28H12N6 — CID 88562756

IUPAC2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2nc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)nc21
InChIInChI=1S/C28H12N6/c29-13-17-5-9-19(10-6-17)25-26(20-11-7-18(14-30)8-12-20)34-28-24(21(15-31)16-32)22-3-1-2-4-23(22)27(28)33-25/h1-12H
InChIKeyPIKYMOYYJWNYNJ-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.38
Rot. Bonds2

About 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile

2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile (PubChem CID 88562756) has the molecular formula C28H12N6 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile
PubChem CID88562756
Molecular FormulaC28H12N6
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2nc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)nc21
InChIInChI=1S/C28H12N6/c29-13-17-5-9-19(10-6-17)25-26(20-11-7-18(14-30)8-12-20)34-28-24(21(15-31)16-32)22-3-1-2-4-23(22)27(28)33-25/h1-12H
InChIKeyPIKYMOYYJWNYNJ-UHFFFAOYSA-N
XLogP5.38
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[17,18-bis(4-methylphenyl)-14,21-di(propan-2-yl)-2,12,16,19-tetrazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-10-ylidene]propanedinitrile
CID 170541444
4-[2-(4-cyanophenyl)-9-isocyanoiminoindeno[1,2-b]pyrazin-3-yl]benzonitrile
CID 72540011
4-[4-[4-(3-dibenzofuran-1-yl-5,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509423
2-[(26E)-26-[cyano(isocyano)methylidene]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaen-12-ylidene]propanedinitrile
CID 171050901
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
2-[(2Z)-2-[[5-(4-cyanophenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 170175252
2-(2-methylindeno[1,2-d][1,3]thiazol-4-ylidene)propanedinitrile
CID 14736302
2-[26-(dicyanomethylidene)-9,23-difluoro-2,16-diphenyl-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]propanedinitrile
CID 87431317
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 143691854
4-(2-chloro-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl)benzonitrile
CID 137424603
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile?
The IUPAC name of 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile (CID 88562756) is 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile is N#CC(C#N)=C1c2ccccc2-c2nc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)nc21.
What is the InChIKey of 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile?
The InChIKey is PIKYMOYYJWNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12N6/c29-13-17-5-9-19(10-6-17)25-26(20-11-7-18(14-30)8-12-20)34-28-24(21(15-31)16-32)22-3-1-2-4-23(22)27(28)33-25/h1-12H.
What are the key properties of 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile?
2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile has a molecular weight of 432.45 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(4-cyanophenyl)indeno[1,2-b]pyrazin-9-ylidene]propanedinitrile is sourced from PubChem (CID 88562756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).