2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine

C29H18Br2N2O — CID 141218739

IUPAC2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine
SMILESBrc1cc(Br)cc(C2N=C(c3cccc4ccccc34)N=C(c3cccc4ccccc34)O2)c1
InChIInChI=1S/C29H18Br2N2O/c30-21-15-20(16-22(31)17-21)28-32-27(25-13-5-9-18-7-1-3-11-23(18)25)33-29(34-28)26-14-6-10-19-8-2-4-12-24(19)26/h1-17,28H
InChIKeyFWYGSHOQEVCPQJ-UHFFFAOYSA-N
MW570.28 g/mol
LogP8.44
Rot. Bonds3

About 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine

2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine (PubChem CID 141218739) has the molecular formula C29H18Br2N2O and a molecular weight of 570.28 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine
PubChem CID141218739
Molecular FormulaC29H18Br2N2O
Molecular Weight570.28 g/mol
Exact Mass567.98
IUPAC Name2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine
SMILESBrc1cc(Br)cc(C2N=C(c3cccc4ccccc34)N=C(c3cccc4ccccc34)O2)c1
InChIInChI=1S/C29H18Br2N2O/c30-21-15-20(16-22(31)17-21)28-32-27(25-13-5-9-18-7-1-3-11-23(18)25)33-29(34-28)26-14-6-10-19-8-2-4-12-24(19)26/h1-17,28H
InChIKeyFWYGSHOQEVCPQJ-UHFFFAOYSA-N
XLogP8.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.28
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
CID 175282704
CID 175282704
1-(3-bromo-5-methylphenyl)naphthalene
CID 155180457
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
3,5-dinaphthalen-1-yl-1,4,2-dioxazole
CID 158958415
6-methyl-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174526090
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine?
The IUPAC name of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine (CID 141218739) is 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine is Brc1cc(Br)cc(C2N=C(c3cccc4ccccc34)N=C(c3cccc4ccccc34)O2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine?
The InChIKey is FWYGSHOQEVCPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18Br2N2O/c30-21-15-20(16-22(31)17-21)28-32-27(25-13-5-9-18-7-1-3-11-23(18)25)33-29(34-28)26-14-6-10-19-8-2-4-12-24(19)26/h1-17,28H.
What are the key properties of 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine?
2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine has a molecular weight of 570.28 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4,6-dinaphthalen-1-yl-2H-1,3,5-oxadiazine is sourced from PubChem (CID 141218739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).