6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene

C28H28Br2O2 — CID 86206500

IUPAC6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
SMILESCCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCC)ccc2cc(Br)ccc12
InChIInChI=1S/C28H28Br2O2/c1-3-5-15-31-25-13-7-19-17-21(29)9-11-23(19)27(25)28-24-12-10-22(30)18-20(24)8-14-26(28)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKeyUGOFCQOIPFRDCT-UHFFFAOYSA-N
MW556.34 g/mol
LogP9.54
Rot. Bonds9

About 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene

6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene (PubChem CID 86206500) has the molecular formula C28H28Br2O2 and a molecular weight of 556.34 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
PubChem CID86206500
Molecular FormulaC28H28Br2O2
Molecular Weight556.34 g/mol
Exact Mass554.05
IUPAC Name6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
SMILESCCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCC)ccc2cc(Br)ccc12
InChIInChI=1S/C28H28Br2O2/c1-3-5-15-31-25-13-7-19-17-21(29)9-11-23(19)27(25)28-24-12-10-22(30)18-20(24)8-14-26(28)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKeyUGOFCQOIPFRDCT-UHFFFAOYSA-N
XLogP9.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.34
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 160905440
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene?
The IUPAC name of 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene (CID 86206500) is 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene.
What is the SMILES notation for 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene?
The canonical SMILES for 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene is CCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCC)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene?
The InChIKey is UGOFCQOIPFRDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Br2O2/c1-3-5-15-31-25-13-7-19-17-21(29)9-11-23(19)27(25)28-24-12-10-22(30)18-20(24)8-14-26(28)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3.
What are the key properties of 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene?
6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene has a molecular weight of 556.34 g/mol, XLogP of 9.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene is sourced from PubChem (CID 86206500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).