6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene

C32H36Br2O2 — CID 15265576

IUPAC6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene
SMILESCCCCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCCCC)ccc2cc(Br)ccc12
InChIInChI=1S/C32H36Br2O2/c1-3-5-7-9-19-35-29-17-11-23-21-25(33)13-15-27(23)31(29)32-28-16-14-26(34)22-24(28)12-18-30(32)36-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChIKeyVQJYPHSENPUOSI-UHFFFAOYSA-N
MW612.45 g/mol
LogP11.10
Rot. Bonds13

About 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene

6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene (PubChem CID 15265576) has the molecular formula C32H36Br2O2 and a molecular weight of 612.45 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene
PubChem CID15265576
Molecular FormulaC32H36Br2O2
Molecular Weight612.45 g/mol
Exact Mass610.11
IUPAC Name6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene
SMILESCCCCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCCCC)ccc2cc(Br)ccc12
InChIInChI=1S/C32H36Br2O2/c1-3-5-7-9-19-35-29-17-11-23-21-25(33)13-15-27(23)31(29)32-28-16-14-26(34)22-24(28)12-18-30(32)36-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChIKeyVQJYPHSENPUOSI-UHFFFAOYSA-N
XLogP11.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.45
LogP ≤ 511.10
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene?
The IUPAC name of 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene (CID 15265576) is 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene.
What is the SMILES notation for 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene?
The canonical SMILES for 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene is CCCCCCOc1ccc2cc(Br)ccc2c1-c1c(OCCCCCC)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene?
The InChIKey is VQJYPHSENPUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Br2O2/c1-3-5-7-9-19-35-29-17-11-23-21-25(33)13-15-27(23)31(29)32-28-16-14-26(34)22-24(28)12-18-30(32)36-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3.
What are the key properties of 6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene?
6-bromo-1-(6-bromo-2-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene has a molecular weight of 612.45 g/mol, XLogP of 11.10, 13 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-hexoxynaphthalen-1-yl)-2-hexoxynaphthalene is sourced from PubChem (CID 15265576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).