2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene

C36H25Br — CID 72565715

IUPAC2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
SMILESBrc1ccc2cc(C=Cc3ccc4cc(C=Cc5ccc(-c6ccccc6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C36H25Br/c37-36-21-20-34-24-29(14-19-35(34)25-36)9-8-28-13-18-32-22-27(12-17-33(32)23-28)7-6-26-10-15-31(16-11-26)30-4-2-1-3-5-30/h1-25H
InChIKeyUGAPOCQBGPCQCH-UHFFFAOYSA-N
MW537.50 g/mol
LogP10.76
Rot. Bonds5

About 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene

2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene (PubChem CID 72565715) has the molecular formula C36H25Br and a molecular weight of 537.50 g/mol. Its IUPAC name is 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
PubChem CID72565715
Molecular FormulaC36H25Br
Molecular Weight537.50 g/mol
Exact Mass536.11
IUPAC Name2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
SMILESBrc1ccc2cc(C=Cc3ccc4cc(C=Cc5ccc(-c6ccccc6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C36H25Br/c37-36-21-20-34-24-29(14-19-35(34)25-36)9-8-28-13-18-32-22-27(12-17-33(32)23-28)7-6-26-10-15-31(16-11-26)30-4-2-1-3-5-30/h1-25H
InChIKeyUGAPOCQBGPCQCH-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.50
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene?
The IUPAC name of 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene (CID 72565715) is 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene?
The canonical SMILES for 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene is Brc1ccc2cc(C=Cc3ccc4cc(C=Cc5ccc(-c6ccccc6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene?
The InChIKey is UGAPOCQBGPCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Br/c37-36-21-20-34-24-29(14-19-35(34)25-36)9-8-28-13-18-32-22-27(12-17-33(32)23-28)7-6-26-10-15-31(16-11-26)30-4-2-1-3-5-30/h1-25H.
What are the key properties of 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene?
2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene has a molecular weight of 537.50 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene is sourced from PubChem (CID 72565715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).