2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile

C34H22N4 — CID 122435611

IUPAC2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2N(c2ccccc2N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C34H22N4/c35-23-25(24-36)34-28-17-7-9-19-30(28)38(31-20-10-8-18-29(31)34)33-22-12-11-21-32(33)37(26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-22H
InChIKeyCKBKCUUZDGGKLG-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.79
Rot. Bonds4

About 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile

2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile (PubChem CID 122435611) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile
PubChem CID122435611
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2N(c2ccccc2N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C34H22N4/c35-23-25(24-36)34-28-17-7-9-19-30(28)38(31-20-10-8-18-29(31)34)33-22-12-11-21-32(33)37(26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-22H
InChIKeyCKBKCUUZDGGKLG-UHFFFAOYSA-N
XLogP8.79
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
2-(2-oxo-1-prop-2-enylindol-3-ylidene)propanedinitrile
CID 3514476
2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]ethyl-diethylazanium
CID 7582591
N-methyl-N,14-diphenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130260572
2-[1-(naphthalen-2-ylmethyl)-2-oxoindol-3-ylidene]propanedinitrile
CID 1426026
butyl 2-[3-(dicyanomethylidene)-2-oxoindol-1-yl]acetate
CID 5159635
4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
CID 156903762
2-[(2E)-3-(dicyanomethylidene)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(N-phenylanilino)inden-1-ylidene]propanedinitrile
CID 102324628

Frequently Asked Questions

What is the IUPAC name of 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile (CID 122435611) is 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile is N#CC(C#N)=C1c2ccccc2N(c2ccccc2N(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile?
The InChIKey is CKBKCUUZDGGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c35-23-25(24-36)34-28-17-7-9-19-30(28)38(31-20-10-8-18-29(31)34)33-22-12-11-21-32(33)37(26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-22H.
What are the key properties of 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile?
2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile has a molecular weight of 486.58 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[2-(N-phenylanilino)phenyl]acridin-9-ylidene]propanedinitrile is sourced from PubChem (CID 122435611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).