1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene

C20H12Br2 — CID 4530279

IUPAC1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12Br2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H
InChIKeyXRPQXUVMYUMLIC-UHFFFAOYSA-N
MW412.12 g/mol
LogP7.18
Rot. Bonds1

About 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene

1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene (PubChem CID 4530279) has the molecular formula C20H12Br2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
PubChem CID4530279
Molecular FormulaC20H12Br2
Molecular Weight412.12 g/mol
Exact Mass409.93
IUPAC Name1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
SMILESBrc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12Br2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H
InChIKeyXRPQXUVMYUMLIC-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

9-Bromophenanthrene
CID 11309
2-Bromonaphthalene
CID 11372
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromonaphthalene
CID 7001
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
5-Bromoacenaphthene
CID 74923
1-Bromo-2-methylnaphthalene
CID 75754
1,3,5-Tri(4-bromophenyl)benzene
CID 232761

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene?
The IUPAC name of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene (CID 4530279) is 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene?
The canonical SMILES for 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene is Brc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene?
The InChIKey is XRPQXUVMYUMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H.
What are the key properties of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene?
1-bromo-4-(4-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 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene is sourced from PubChem (CID 4530279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).