3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile

C28H16N2 — CID 175833968

IUPAC3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2ccc3ccccc3c2-c2cccc3ccccc23)c1C#N
InChIInChI=1S/C28H16N2/c29-17-21-10-6-13-24(27(21)18-30)26-16-15-20-8-2-4-12-23(20)28(26)25-14-5-9-19-7-1-3-11-22(19)25/h1-16H
InChIKeyGXSYRVRPXSDAJT-UHFFFAOYSA-N
MW380.45 g/mol
LogP7.07
Rot. Bonds2

About 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile

3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile (PubChem CID 175833968) has the molecular formula C28H16N2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
PubChem CID175833968
Molecular FormulaC28H16N2
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2ccc3ccccc3c2-c2cccc3ccccc23)c1C#N
InChIInChI=1S/C28H16N2/c29-17-21-10-6-13-24(27(21)18-30)26-16-15-20-8-2-4-12-23(20)28(26)25-14-5-9-19-7-1-3-11-22(19)25/h1-16H
InChIKeyGXSYRVRPXSDAJT-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

3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 175992914
2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
CID 131985794
naphthalene-1-carbonitrile;sulfane
CID 175607355
phenanthrene-1,2-dicarbonitrile
CID 19041876
3-[21-bromo-14-(2,3-dicyanophenyl)-3-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl]benzene-1,2-dicarbonitrile
CID 156630015
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142488002
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
CID 164819632

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile (CID 175833968) is 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile is N#Cc1cccc(-c2ccc3ccccc3c2-c2cccc3ccccc23)c1C#N.
What is the InChIKey of 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile?
The InChIKey is GXSYRVRPXSDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2/c29-17-21-10-6-13-24(27(21)18-30)26-16-15-20-8-2-4-12-23(20)28(26)25-14-5-9-19-7-1-3-11-22(19)25/h1-16H.
What are the key properties of 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile?
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-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 3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 175833968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).