6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one

C32H20Cl2O2 — CID 138968571

IUPAC6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one
SMILESO=C1C=Cc2cc(Cl)ccc2C1(Oc1ccc2cc(Cl)ccc2c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C32H20Cl2O2/c33-25-13-15-27-22(19-25)11-17-29(31(27)21-7-3-1-4-8-21)36-32(24-9-5-2-6-10-24)28-16-14-26(34)20-23(28)12-18-30(32)35/h1-20H
InChIKeyNRFCFRSLXCNWMM-UHFFFAOYSA-N
MW507.42 g/mol
LogP8.73
Rot. Bonds4

About 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one

6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one (PubChem CID 138968571) has the molecular formula C32H20Cl2O2 and a molecular weight of 507.42 g/mol. Its IUPAC name is 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one.

Molecular Properties

Compound Name6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one
PubChem CID138968571
Molecular FormulaC32H20Cl2O2
Molecular Weight507.42 g/mol
Exact Mass506.08
IUPAC Name6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one
SMILESO=C1C=Cc2cc(Cl)ccc2C1(Oc1ccc2cc(Cl)ccc2c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C32H20Cl2O2/c33-25-13-15-27-22(19-25)11-17-29(31(27)21-7-3-1-4-8-21)36-32(24-9-5-2-6-10-24)28-16-14-26(34)20-23(28)12-18-30(32)35/h1-20H
InChIKeyNRFCFRSLXCNWMM-UHFFFAOYSA-N
XLogP8.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one?
The IUPAC name of 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one (CID 138968571) is 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one.
What is the SMILES notation for 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one?
The canonical SMILES for 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one is O=C1C=Cc2cc(Cl)ccc2C1(Oc1ccc2cc(Cl)ccc2c1-c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one?
The InChIKey is NRFCFRSLXCNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Cl2O2/c33-25-13-15-27-22(19-25)11-17-29(31(27)21-7-3-1-4-8-21)36-32(24-9-5-2-6-10-24)28-16-14-26(34)20-23(28)12-18-30(32)35/h1-20H.
What are the key properties of 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one?
6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one has a molecular weight of 507.42 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(6-chloro-1-phenylnaphthalen-2-yl)oxy-1-phenylnaphthalen-2-one is sourced from PubChem (CID 138968571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).