2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene

C26H18Br2 — CID 71410772

IUPAC2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
SMILESBrc1ccc(C=Cc2ccc3ccc(C=Cc4ccc(Br)cc4)cc3c2)cc1
InChIInChI=1S/C26H18Br2/c27-25-13-7-19(8-14-25)1-3-21-5-11-23-12-6-22(18-24(23)17-21)4-2-20-9-15-26(28)16-10-20/h1-18H
InChIKeyPTWQRAWTSOJNTI-UHFFFAOYSA-N
MW490.24 g/mol
LogP8.71
Rot. Bonds4

About 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene

2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene (PubChem CID 71410772) has the molecular formula C26H18Br2 and a molecular weight of 490.24 g/mol. Its IUPAC name is 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
PubChem CID71410772
Molecular FormulaC26H18Br2
Molecular Weight490.24 g/mol
Exact Mass487.98
IUPAC Name2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
SMILESBrc1ccc(C=Cc2ccc3ccc(C=Cc4ccc(Br)cc4)cc3c2)cc1
InChIInChI=1S/C26H18Br2/c27-25-13-7-19(8-14-25)1-3-21-5-11-23-12-6-22(18-24(23)17-21)4-2-20-9-15-26(28)16-10-20/h1-18H
InChIKeyPTWQRAWTSOJNTI-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.24
LogP ≤ 58.71
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 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene?
The IUPAC name of 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene (CID 71410772) is 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene.
What is the SMILES notation for 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene?
The canonical SMILES for 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene is Brc1ccc(C=Cc2ccc3ccc(C=Cc4ccc(Br)cc4)cc3c2)cc1.
What is the InChIKey of 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene?
The InChIKey is PTWQRAWTSOJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2/c27-25-13-7-19(8-14-25)1-3-21-5-11-23-12-6-22(18-24(23)17-21)4-2-20-9-15-26(28)16-10-20/h1-18H.
What are the key properties of 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene?
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene has a molecular weight of 490.24 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene is sourced from PubChem (CID 71410772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).