9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide

C30H19N5O — CID 72954375

IUPAC9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide
SMILESCCC(NC(=O)c1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1)c1ccccc1
InChIInChI=1S/C30H19N5O/c1-2-27(19-8-4-3-5-9-19)35-30(36)20-12-13-25-26(14-20)29(22(17-33)18-34)24-11-7-6-10-23(24)28(25)21(15-31)16-32/h3-14,27H,2H2,1H3,(H,35,36)
InChIKeySIDNBUCBMABEKT-UHFFFAOYSA-N
MW465.52 g/mol
LogP4.27
Rot. Bonds4

About 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide

9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide (PubChem CID 72954375) has the molecular formula C30H19N5O and a molecular weight of 465.52 g/mol. Its IUPAC name is 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide.

Molecular Properties

Compound Name9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide
PubChem CID72954375
Molecular FormulaC30H19N5O
Molecular Weight465.52 g/mol
Exact Mass465.16
IUPAC Name9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide
SMILESCCC(NC(=O)c1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1)c1ccccc1
InChIInChI=1S/C30H19N5O/c1-2-27(19-8-4-3-5-9-19)35-30(36)20-12-13-25-26(14-20)29(22(17-33)18-34)24-11-7-6-10-23(24)28(25)21(15-31)16-32/h3-14,27H,2H2,1H3,(H,35,36)
InChIKeySIDNBUCBMABEKT-UHFFFAOYSA-N
XLogP4.27
TPSA124.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide?
The IUPAC name of 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide (CID 72954375) is 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide.
What is the SMILES notation for 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide?
The canonical SMILES for 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide is CCC(NC(=O)c1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1)c1ccccc1.
What is the InChIKey of 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide?
The InChIKey is SIDNBUCBMABEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O/c1-2-27(19-8-4-3-5-9-19)35-30(36)20-12-13-25-26(14-20)29(22(17-33)18-34)24-11-7-6-10-23(24)28(25)21(15-31)16-32/h3-14,27H,2H2,1H3,(H,35,36).
What are the key properties of 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide?
9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(dicyanomethylidene)-N-(1-phenylpropyl)anthracene-2-carboxamide is sourced from PubChem (CID 72954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).