2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene

C28H19Br — CID 164709035

IUPAC2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene
SMILESBrc1c(-c2cccc(-c3ccccc3)c2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H19Br/c29-28-26(23-16-9-15-22(18-23)20-10-3-1-4-11-20)19-24-14-7-8-17-25(24)27(28)21-12-5-2-6-13-21/h1-19H
InChIKeyNORWIKHUZXSSQC-UHFFFAOYSA-N
MW435.36 g/mol
LogP8.60
Rot. Bonds3

About 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene

2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene (PubChem CID 164709035) has the molecular formula C28H19Br and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene
PubChem CID164709035
Molecular FormulaC28H19Br
Molecular Weight435.36 g/mol
Exact Mass434.07
IUPAC Name2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene
SMILESBrc1c(-c2cccc(-c3ccccc3)c2)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H19Br/c29-28-26(23-16-9-15-22(18-23)20-10-3-1-4-11-20)19-24-14-7-8-17-25(24)27(28)21-12-5-2-6-13-21/h1-19H
InChIKeyNORWIKHUZXSSQC-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837476
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene?
The IUPAC name of 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene (CID 164709035) is 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene.
What is the SMILES notation for 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene?
The canonical SMILES for 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene is Brc1c(-c2cccc(-c3ccccc3)c2)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene?
The InChIKey is NORWIKHUZXSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Br/c29-28-26(23-16-9-15-22(18-23)20-10-3-1-4-11-20)19-24-14-7-8-17-25(24)27(28)21-12-5-2-6-13-21/h1-19H.
What are the key properties of 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene?
2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene has a molecular weight of 435.36 g/mol, XLogP of 8.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenyl-3-(3-phenylphenyl)naphthalene is sourced from PubChem (CID 164709035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).