2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone

C44H30O2 — CID 58239720

IUPAC2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C44H30O2/c45-43(32-14-3-1-4-15-32)44(33-16-5-2-6-17-33)46-36-27-25-31(26-28-36)41-37-19-9-11-21-39(37)42(40-22-12-10-20-38(40)41)35-24-23-30-13-7-8-18-34(30)29-35/h1-29,44H
InChIKeyQJGTXFGXZYHJHR-UHFFFAOYSA-N
MW590.72 g/mol
LogP11.48
Rot. Bonds7

About 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone (PubChem CID 58239720) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone
PubChem CID58239720
Molecular FormulaC44H30O2
Molecular Weight590.72 g/mol
Exact Mass590.22
IUPAC Name2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C44H30O2/c45-43(32-14-3-1-4-15-32)44(33-16-5-2-6-17-33)46-36-27-25-31(26-28-36)41-37-19-9-11-21-39(37)42(40-22-12-10-20-38(40)41)35-24-23-30-13-7-8-18-34(30)29-35/h1-29,44H
InChIKeyQJGTXFGXZYHJHR-UHFFFAOYSA-N
XLogP11.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone?
The IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone (CID 58239720) is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone.
What is the SMILES notation for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone?
The canonical SMILES for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone is O=C(c1ccccc1)C(Oc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone?
The InChIKey is QJGTXFGXZYHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c45-43(32-14-3-1-4-15-32)44(33-16-5-2-6-17-33)46-36-27-25-31(26-28-36)41-37-19-9-11-21-39(37)42(40-22-12-10-20-38(40)41)35-24-23-30-13-7-8-18-34(30)29-35/h1-29,44H.
What are the key properties of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone?
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone has a molecular weight of 590.72 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone is sourced from PubChem (CID 58239720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).