2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene

C20H12Br2 — CID 142720539

IUPAC2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc2cc(-c3cc(Br)cc4ccccc34)ccc2c1
InChIInChI=1S/C20H12Br2/c21-17-8-7-13-9-16(6-5-14(13)10-17)20-12-18(22)11-15-3-1-2-4-19(15)20/h1-12H
InChIKeyJJXNGASDIJFCQF-UHFFFAOYSA-N
MW412.12 g/mol
LogP7.18
Rot. Bonds1

About 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene

2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene (PubChem CID 142720539) has the molecular formula C20H12Br2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
PubChem CID142720539
Molecular FormulaC20H12Br2
Molecular Weight412.12 g/mol
Exact Mass409.93
IUPAC Name2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc2cc(-c3cc(Br)cc4ccccc34)ccc2c1
InChIInChI=1S/C20H12Br2/c21-17-8-7-13-9-16(6-5-14(13)10-17)20-12-18(22)11-15-3-1-2-4-19(15)20/h1-12H
InChIKeyJJXNGASDIJFCQF-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dibromonaphthalene;phenanthren-9-ylboronic acid;9-(6-phenanthren-9-ylnaphthalen-2-yl)phenanthrene
CID 158359204
2-(5-bromo-2-chlorophenyl)phenanthrene
CID 167303634
2-bromonaphthalene
CID 50940586
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-naphthalen-1-ylanthracene
CID 2748705
1-(6-bromonaphthalen-2-yl)pyrene
CID 58894948
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
2,6-dibromonaphthalene
CID 640591
7-bromo-3-(7-bromobenzo[a]anthracen-5-yl)benzo[a]anthracene
CID 59412865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene?
The IUPAC name of 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene (CID 142720539) is 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene is Brc1ccc2cc(-c3cc(Br)cc4ccccc34)ccc2c1.
What is the InChIKey of 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene?
The InChIKey is JJXNGASDIJFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2/c21-17-8-7-13-9-16(6-5-14(13)10-17)20-12-18(22)11-15-3-1-2-4-19(15)20/h1-12H.
What are the key properties of 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene?
2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene has a molecular weight of 412.12 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene is sourced from PubChem (CID 142720539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).