4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile

C28H16N2 — CID 135379494

IUPAC4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C28H16N2/c29-17-25-15-27(23-11-9-19-5-1-3-7-21(19)13-23)28(16-26(25)18-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-16H
InChIKeyUWIVWLSAVXTKBF-UHFFFAOYSA-N
MW380.45 g/mol
LogP7.07
Rot. Bonds2

About 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile

4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile (PubChem CID 135379494) has the molecular formula C28H16N2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
PubChem CID135379494
Molecular FormulaC28H16N2
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C28H16N2/c29-17-25-15-27(23-11-9-19-5-1-3-7-21(19)13-23)28(16-26(25)18-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-16H
InChIKeyUWIVWLSAVXTKBF-UHFFFAOYSA-N
XLogP7.07
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
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2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
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CID 119078988
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Frequently Asked Questions

What is the IUPAC name of 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile (CID 135379494) is 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile is N#Cc1cc(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)cc1C#N.
What is the InChIKey of 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile?
The InChIKey is UWIVWLSAVXTKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2/c29-17-25-15-27(23-11-9-19-5-1-3-7-21(19)13-23)28(16-26(25)18-30)24-12-10-20-6-2-4-8-22(20)14-24/h1-16H.
What are the key properties of 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile?
4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile has a molecular weight of 380.45 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 135379494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).