5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene

C23H19Br — CID 57095249

IUPAC5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene
SMILESCc1ccc(C2(c3ccccc3)C=Cc3c(Br)cccc3C2)cc1
InChIInChI=1S/C23H19Br/c1-17-10-12-20(13-11-17)23(19-7-3-2-4-8-19)15-14-21-18(16-23)6-5-9-22(21)24/h2-15H,16H2,1H3
InChIKeyHRZXFXMZUKXQFD-UHFFFAOYSA-N
MW375.31 g/mol
LogP6.31
Rot. Bonds2

About 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene

5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene (PubChem CID 57095249) has the molecular formula C23H19Br and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene.

Molecular Properties

Compound Name5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene
PubChem CID57095249
Molecular FormulaC23H19Br
Molecular Weight375.31 g/mol
Exact Mass374.07
IUPAC Name5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene
SMILESCc1ccc(C2(c3ccccc3)C=Cc3c(Br)cccc3C2)cc1
InChIInChI=1S/C23H19Br/c1-17-10-12-20(13-11-17)23(19-7-3-2-4-8-19)15-14-21-18(16-23)6-5-9-22(21)24/h2-15H,16H2,1H3
InChIKeyHRZXFXMZUKXQFD-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene?
The IUPAC name of 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene (CID 57095249) is 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene.
What is the SMILES notation for 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene?
The canonical SMILES for 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene is Cc1ccc(C2(c3ccccc3)C=Cc3c(Br)cccc3C2)cc1.
What is the InChIKey of 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene?
The InChIKey is HRZXFXMZUKXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br/c1-17-10-12-20(13-11-17)23(19-7-3-2-4-8-19)15-14-21-18(16-23)6-5-9-22(21)24/h2-15H,16H2,1H3.
What are the key properties of 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene?
5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene has a molecular weight of 375.31 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene is sourced from PubChem (CID 57095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).