7-bromo-4-methyl-1,2-diphenylnaphthalene

C23H17Br — CID 166066890

IUPAC7-bromo-4-methyl-1,2-diphenylnaphthalene
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C23H17Br/c1-16-14-21(17-8-4-2-5-9-17)23(18-10-6-3-7-11-18)22-15-19(24)12-13-20(16)22/h2-15H,1H3
InChIKeyIOFRNGJIUXIFMZ-UHFFFAOYSA-N
MW373.29 g/mol
LogP7.24
Rot. Bonds2

About 7-bromo-4-methyl-1,2-diphenylnaphthalene

7-bromo-4-methyl-1,2-diphenylnaphthalene (PubChem CID 166066890) has the molecular formula C23H17Br and a molecular weight of 373.29 g/mol. Its IUPAC name is 7-bromo-4-methyl-1,2-diphenylnaphthalene.

Molecular Properties

Compound Name7-bromo-4-methyl-1,2-diphenylnaphthalene
PubChem CID166066890
Molecular FormulaC23H17Br
Molecular Weight373.29 g/mol
Exact Mass372.05
IUPAC Name7-bromo-4-methyl-1,2-diphenylnaphthalene
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C23H17Br/c1-16-14-21(17-8-4-2-5-9-17)23(18-10-6-3-7-11-18)22-15-19(24)12-13-20(16)22/h2-15H,1H3
InChIKeyIOFRNGJIUXIFMZ-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1,2-diphenylnaphthalene?
The IUPAC name of 7-bromo-4-methyl-1,2-diphenylnaphthalene (CID 166066890) is 7-bromo-4-methyl-1,2-diphenylnaphthalene.
What is the SMILES notation for 7-bromo-4-methyl-1,2-diphenylnaphthalene?
The canonical SMILES for 7-bromo-4-methyl-1,2-diphenylnaphthalene is Cc1cc(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-methyl-1,2-diphenylnaphthalene?
The InChIKey is IOFRNGJIUXIFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br/c1-16-14-21(17-8-4-2-5-9-17)23(18-10-6-3-7-11-18)22-15-19(24)12-13-20(16)22/h2-15H,1H3.
What are the key properties of 7-bromo-4-methyl-1,2-diphenylnaphthalene?
7-bromo-4-methyl-1,2-diphenylnaphthalene has a molecular weight of 373.29 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1,2-diphenylnaphthalene is sourced from PubChem (CID 166066890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).