2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile

C32H16N4 — CID 102492464

IUPAC2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccc(-c3ccccc3)cc2c(=C(C#N)C#N)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C32H16N4/c33-17-25(18-34)31-28-14-12-24(22-9-5-2-6-10-22)16-30(28)32(26(19-35)20-36)27-13-11-23(15-29(27)31)21-7-3-1-4-8-21/h1-16H
InChIKeyKCTAKKAIIIZEFL-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.72
Rot. Bonds2

About 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile

2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile (PubChem CID 102492464) has the molecular formula C32H16N4 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
PubChem CID102492464
Molecular FormulaC32H16N4
Molecular Weight456.51 g/mol
Exact Mass456.14
IUPAC Name2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccc(-c3ccccc3)cc2c(=C(C#N)C#N)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C32H16N4/c33-17-25(18-34)31-28-14-12-24(22-9-5-2-6-10-22)16-30(28)32(26(19-35)20-36)27-13-11-23(15-29(27)31)21-7-3-1-4-8-21/h1-16H
InChIKeyKCTAKKAIIIZEFL-UHFFFAOYSA-N
XLogP5.72
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
CID 89262869
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944

Frequently Asked Questions

What is the IUPAC name of 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile (CID 102492464) is 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile is N#CC(C#N)=c1c2ccc(-c3ccccc3)cc2c(=C(C#N)C#N)c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile?
The InChIKey is KCTAKKAIIIZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N4/c33-17-25(18-34)31-28-14-12-24(22-9-5-2-6-10-22)16-30(28)32(26(19-35)20-36)27-13-11-23(15-29(27)31)21-7-3-1-4-8-21/h1-16H.
What are the key properties of 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile has a molecular weight of 456.51 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile is sourced from PubChem (CID 102492464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).