2-bromo-1-naphthalen-1-ylnaphthalene

C20H13Br — CID 620109

IUPAC2-bromo-1-naphthalen-1-ylnaphthalene
SMILESBrc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H13Br/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18/h1-13H
InChIKeyLHGMWNNIRQJEBS-UHFFFAOYSA-N
MW333.23 g/mol
LogP6.42
Rot. Bonds1

About 2-bromo-1-naphthalen-1-ylnaphthalene

2-bromo-1-naphthalen-1-ylnaphthalene (PubChem CID 620109) has the molecular formula C20H13Br and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-bromo-1-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name2-bromo-1-naphthalen-1-ylnaphthalene
PubChem CID620109
Molecular FormulaC20H13Br
Molecular Weight333.23 g/mol
Exact Mass332.02
IUPAC Name2-bromo-1-naphthalen-1-ylnaphthalene
SMILESBrc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C20H13Br/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18/h1-13H
InChIKeyLHGMWNNIRQJEBS-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(2-bromonaphthalen-1-yl)acridine
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6-amino-3-bromo-2-naphthalen-1-ylphenol
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1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1-(2-bromo-5-iodo-3,4,6-trinaphthalen-1-ylphenyl)naphthalene
CID 5008774
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-naphthalen-1-ylnaphthalene?
The IUPAC name of 2-bromo-1-naphthalen-1-ylnaphthalene (CID 620109) is 2-bromo-1-naphthalen-1-ylnaphthalene.
What is the SMILES notation for 2-bromo-1-naphthalen-1-ylnaphthalene?
The canonical SMILES for 2-bromo-1-naphthalen-1-ylnaphthalene is Brc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 2-bromo-1-naphthalen-1-ylnaphthalene?
The InChIKey is LHGMWNNIRQJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18/h1-13H.
What are the key properties of 2-bromo-1-naphthalen-1-ylnaphthalene?
2-bromo-1-naphthalen-1-ylnaphthalene has a molecular weight of 333.23 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 620109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).