5,8-dibromo-3-phenylnaphthalene-2-carbonitrile

C17H9Br2N — CID 102235921

IUPAC5,8-dibromo-3-phenylnaphthalene-2-carbonitrile
SMILESN#Cc1cc2c(Br)ccc(Br)c2cc1-c1ccccc1
InChIInChI=1S/C17H9Br2N/c18-16-6-7-17(19)15-9-13(11-4-2-1-3-5-11)12(10-20)8-14(15)16/h1-9H
InChIKeyCMCSIEFMWJYFTF-UHFFFAOYSA-N
MW387.07 g/mol
LogP5.90
Rot. Bonds1

About 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile

5,8-dibromo-3-phenylnaphthalene-2-carbonitrile (PubChem CID 102235921) has the molecular formula C17H9Br2N and a molecular weight of 387.07 g/mol. Its IUPAC name is 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5,8-dibromo-3-phenylnaphthalene-2-carbonitrile
PubChem CID102235921
Molecular FormulaC17H9Br2N
Molecular Weight387.07 g/mol
Exact Mass384.91
IUPAC Name5,8-dibromo-3-phenylnaphthalene-2-carbonitrile
SMILESN#Cc1cc2c(Br)ccc(Br)c2cc1-c1ccccc1
InChIInChI=1S/C17H9Br2N/c18-16-6-7-17(19)15-9-13(11-4-2-1-3-5-11)12(10-20)8-14(15)16/h1-9H
InChIKeyCMCSIEFMWJYFTF-UHFFFAOYSA-N
XLogP5.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.07
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-5-methoxy-2-phenylbenzonitrile
CID 175277846
2-bromo-3-phenylbenzonitrile
CID 141263565
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
4-hydroxy-2-phenylbenzonitrile
CID 66882443
20-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8-carbonitrile;22-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-8-carbonitrile
CID 159680798
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031234
5-methoxy-2-phenyl-4-(trifluoromethyl)benzonitrile
CID 175277844
9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile
CID 166814043
4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
4,5-di(dibenzofuran-3-yl)-2-phenylbenzonitrile
CID 146355357
5-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylbenzonitrile
CID 146355406
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile?
The IUPAC name of 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile (CID 102235921) is 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile.
What is the SMILES notation for 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile?
The canonical SMILES for 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile is N#Cc1cc2c(Br)ccc(Br)c2cc1-c1ccccc1.
What is the InChIKey of 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile?
The InChIKey is CMCSIEFMWJYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Br2N/c18-16-6-7-17(19)15-9-13(11-4-2-1-3-5-11)12(10-20)8-14(15)16/h1-9H.
What are the key properties of 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile?
5,8-dibromo-3-phenylnaphthalene-2-carbonitrile has a molecular weight of 387.07 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-3-phenylnaphthalene-2-carbonitrile is sourced from PubChem (CID 102235921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).