bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine

C162H145Br5Cl5F7N6 — CID 159659197

IUPACbis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine
SMILESCc1cc2cc(Br)ccc2cc1N.Cc1cc2cc(Cl)ccc2cc1N.Cc1cc2cc(F)c(Br)cc2cc1C.Cc1cc2cc(F)c(Cl)cc2cc1C.Cc1cc2cc(F)c(F)cc2cc1C.Cc1cc2cc(F)ccc2cc1N.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1N.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1N.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1N
InChIInChI=1S/C12H10BrF.2C12H11Br.C12H10ClF.2C12H11Cl.C12H10F2.C12H11F.2C11H10BrN.2C11H10ClN.2C11H10FN/c1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;6*2-6H,13H2,1H3
InChIKeyMSORCSPICRZINK-UHFFFAOYSA-N
MW2885.75 g/mol
LogP52.09
Rot. Bonds

About bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine

bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine (PubChem CID 159659197) has the molecular formula C162H145Br5Cl5F7N6 and a molecular weight of 2885.75 g/mol. Its IUPAC name is bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine.

Molecular Properties

Compound Namebis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine
PubChem CID159659197
Molecular FormulaC162H145Br5Cl5F7N6
Molecular Weight2885.75 g/mol
Exact Mass2876.58
IUPAC Namebis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine
SMILESCc1cc2cc(Br)ccc2cc1N.Cc1cc2cc(Cl)ccc2cc1N.Cc1cc2cc(F)c(Br)cc2cc1C.Cc1cc2cc(F)c(Cl)cc2cc1C.Cc1cc2cc(F)c(F)cc2cc1C.Cc1cc2cc(F)ccc2cc1N.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1N.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1N.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1N
InChIInChI=1S/C12H10BrF.2C12H11Br.C12H10ClF.2C12H11Cl.C12H10F2.C12H11F.2C11H10BrN.2C11H10ClN.2C11H10FN/c1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;6*2-6H,13H2,1H3
InChIKeyMSORCSPICRZINK-UHFFFAOYSA-N
XLogP52.09
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002885.75
LogP ≤ 552.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine with MolForge

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Related Compounds

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CID 159320278
3,6-dichloronaphthalen-2-amine
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CID 22728523
1-N-(4-bromo-2-methylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077776
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048
2-bromo-7-chlorophenanthrene
CID 177099004
2-bromo-1-N-(2-chloro-5-fluorophenyl)-5-methylbenzene-1,4-diamine
CID 114048359
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine?
The IUPAC name of bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine (CID 159659197) is bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine.
What is the SMILES notation for bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine?
The canonical SMILES for bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine is Cc1cc2cc(Br)ccc2cc1N.Cc1cc2cc(Cl)ccc2cc1N.Cc1cc2cc(F)c(Br)cc2cc1C.Cc1cc2cc(F)c(Cl)cc2cc1C.Cc1cc2cc(F)c(F)cc2cc1C.Cc1cc2cc(F)ccc2cc1N.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1N.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1N.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1N.
What is the InChIKey of bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine?
The InChIKey is MSORCSPICRZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF.2C12H11Br.C12H10ClF.2C12H11Cl.C12H10F2.C12H11F.2C11H10BrN.2C11H10ClN.2C11H10FN/c1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-3-9-5-11(13)12(14)6-10(9)4-8(7)2;1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;6*2-6H,13H2,1H3.
What are the key properties of bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine?
bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine has a molecular weight of 2885.75 g/mol, XLogP of 52.09, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine is sourced from PubChem (CID 159659197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).