2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene

C16H10BrCl — CID 171731254

IUPAC2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene
SMILES[2H]c1c([2H])c(Cl)c([2H])c(-c2ccc3cc(Br)ccc3c2)c1[2H]
InChIInChI=1S/C16H10BrCl/c17-15-7-6-13-8-12(4-5-14(13)9-15)11-2-1-3-16(18)10-11/h1-10H/i1D,2D,3D,10D
InChIKeyXNMBOKPGUFCYDP-ATCXJBGESA-N
MW321.64 g/mol
LogP5.92
Rot. Bonds1

About 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene

2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene (PubChem CID 171731254) has the molecular formula C16H10BrCl and a molecular weight of 321.64 g/mol. Its IUPAC name is 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene
PubChem CID171731254
Molecular FormulaC16H10BrCl
Molecular Weight321.64 g/mol
Exact Mass319.99
IUPAC Name2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene
SMILES[2H]c1c([2H])c(Cl)c([2H])c(-c2ccc3cc(Br)ccc3c2)c1[2H]
InChIInChI=1S/C16H10BrCl/c17-15-7-6-13-8-12(4-5-14(13)9-15)11-2-1-3-16(18)10-11/h1-10H/i1D,2D,3D,10D
InChIKeyXNMBOKPGUFCYDP-ATCXJBGESA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.64
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-(3-chloro-2,4,5,6-tetradeuteriophenyl)-2,4,5,6-tetradeuteriobenzene
CID 175970687
2,6-dibromonaphthalene
CID 640591
2-bromo-6-chloroanthracene
CID 22728523
2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene
CID 164958779
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
2-(3-chloro-2,4,6-trideuteriophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171469862
1-(3-bromophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 88865397
4-(7-bromonaphthalen-2-yl)pyridine
CID 141295896
1-(3-bromo-5-chlorophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 169297845
1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
CID 169040063
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
2-bromo-7-chlorophenanthrene
CID 177099004

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene?
The IUPAC name of 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene (CID 171731254) is 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene?
The canonical SMILES for 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene is [2H]c1c([2H])c(Cl)c([2H])c(-c2ccc3cc(Br)ccc3c2)c1[2H].
What is the InChIKey of 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene?
The InChIKey is XNMBOKPGUFCYDP-ATCXJBGESA-N. The full InChI is InChI=1S/C16H10BrCl/c17-15-7-6-13-8-12(4-5-14(13)9-15)11-2-1-3-16(18)10-11/h1-10H/i1D,2D,3D,10D.
What are the key properties of 2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene?
2-bromo-6-(3-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene has a molecular weight of 321.64 g/mol, XLogP of 5.92, 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-chloro-2,4,5,6-tetradeuteriophenyl)naphthalene is sourced from PubChem (CID 171731254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).