1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile

C21H14N4 — CID 135036038

IUPAC1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile
SMILESCC1c2ccccc2C(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C21H14N4/c1-15-17-9-5-6-10-18(17)19(16-7-3-2-4-8-16)21(13-24,14-25)20(15,11-22)12-23/h2-10,15,19H,1H3
InChIKeyVJRJYJUDMJWCNK-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.00
Rot. Bonds1

About 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile

1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile (PubChem CID 135036038) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile.

Molecular Properties

Compound Name1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile
PubChem CID135036038
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile
SMILESCC1c2ccccc2C(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C21H14N4/c1-15-17-9-5-6-10-18(17)19(16-7-3-2-4-8-16)21(13-24,14-25)20(15,11-22)12-23/h2-10,15,19H,1H3
InChIKeyVJRJYJUDMJWCNK-UHFFFAOYSA-N
XLogP4.00
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile?
The IUPAC name of 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile (CID 135036038) is 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile.
What is the SMILES notation for 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile?
The canonical SMILES for 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile is CC1c2ccccc2C(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile?
The InChIKey is VJRJYJUDMJWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-15-17-9-5-6-10-18(17)19(16-7-3-2-4-8-16)21(13-24,14-25)20(15,11-22)12-23/h2-10,15,19H,1H3.
What are the key properties of 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile?
1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile has a molecular weight of 322.37 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-1,4-dihydronaphthalene-2,2,3,3-tetracarbonitrile is sourced from PubChem (CID 135036038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).