1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone

C135H101Cl6NO12 — CID 158243444

IUPAC1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone
SMILESCC(=O)c1ccc(C(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(C(=O)Cc2ccc3ccccc3c2)cc1OC.O=C(CCc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2cc3ccccc3cc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1.O=C(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H14Cl2O.C20H18O3.C20H16O2.C19H14Cl2O.C18H12Cl2O.C18H13NO3.C18H14O/c23-19-7-8-20(21(24)13-19)22(25)10-14-5-6-17-11-15-3-1-2-4-16(15)12-18(17)9-14;1-22-19-10-9-17(13-20(19)23-2)18(21)12-14-7-8-15-5-3-4-6-16(15)11-14;1-14(21)16-8-10-18(11-9-16)20(22)13-15-6-7-17-4-2-3-5-19(17)12-15;20-16-8-9-17(18(21)12-16)19(22)10-6-13-5-7-14-3-1-2-4-15(14)11-13;19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12;20-18(15-7-9-17(10-8-15)19(21)22)12-13-5-6-14-3-1-2-4-16(14)11-13;19-18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-9,11-13H,10H2;3-11,13H,12H2,1-2H3;2-12H,13H2,1H3;1-5,7-9,11-12H,6,10H2;1-9,11H,10H2;1-11H,12H2;1-12H,13H2
InChIKeyGFVILIYSWFLKRA-UHFFFAOYSA-N
MW2142.01 g/mol
LogP35.45
Rot. Bonds26

About 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone

1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone (PubChem CID 158243444) has the molecular formula C135H101Cl6NO12 and a molecular weight of 2142.01 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone.

Molecular Properties

Compound Name1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone
PubChem CID158243444
Molecular FormulaC135H101Cl6NO12
Molecular Weight2142.01 g/mol
Exact Mass2137.55
IUPAC Name1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone
SMILESCC(=O)c1ccc(C(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(C(=O)Cc2ccc3ccccc3c2)cc1OC.O=C(CCc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2cc3ccccc3cc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1.O=C(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H14Cl2O.C20H18O3.C20H16O2.C19H14Cl2O.C18H12Cl2O.C18H13NO3.C18H14O/c23-19-7-8-20(21(24)13-19)22(25)10-14-5-6-17-11-15-3-1-2-4-16(15)12-18(17)9-14;1-22-19-10-9-17(13-20(19)23-2)18(21)12-14-7-8-15-5-3-4-6-16(15)11-14;1-14(21)16-8-10-18(11-9-16)20(22)13-15-6-7-17-4-2-3-5-19(17)12-15;20-16-8-9-17(18(21)12-16)19(22)10-6-13-5-7-14-3-1-2-4-15(14)11-13;19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12;20-18(15-7-9-17(10-8-15)19(21)22)12-13-5-6-14-3-1-2-4-16(14)11-13;19-18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-9,11-13H,10H2;3-11,13H,12H2,1-2H3;2-12H,13H2,1H3;1-5,7-9,11-12H,6,10H2;1-9,11H,10H2;1-11H,12H2;1-12H,13H2
InChIKeyGFVILIYSWFLKRA-UHFFFAOYSA-N
XLogP35.45
TPSA198.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002142.01
LogP ≤ 535.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone with MolForge

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Related Compounds

1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)propan-1-one
CID 53415495
methyl 2-methoxy-5-[2-(4-nitrophenyl)-2-oxoethyl]benzoate
CID 165436392
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 33340979
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
2-(3-methoxy-4-nitrophenyl)-1-phenylethanone
CID 63676279
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
CID 31282342
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone?
The IUPAC name of 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone (CID 158243444) is 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone.
What is the SMILES notation for 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone?
The canonical SMILES for 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone is CC(=O)c1ccc(C(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(C(=O)Cc2ccc3ccccc3c2)cc1OC.O=C(CCc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2cc3ccccc3cc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.O=C(Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1.O=C(Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone?
The InChIKey is GFVILIYSWFLKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O.C20H18O3.C20H16O2.C19H14Cl2O.C18H12Cl2O.C18H13NO3.C18H14O/c23-19-7-8-20(21(24)13-19)22(25)10-14-5-6-17-11-15-3-1-2-4-16(15)12-18(17)9-14;1-22-19-10-9-17(13-20(19)23-2)18(21)12-14-7-8-15-5-3-4-6-16(15)11-14;1-14(21)16-8-10-18(11-9-16)20(22)13-15-6-7-17-4-2-3-5-19(17)12-15;20-16-8-9-17(18(21)12-16)19(22)10-6-13-5-7-14-3-1-2-4-15(14)11-13;19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12;20-18(15-7-9-17(10-8-15)19(21)22)12-13-5-6-14-3-1-2-4-16(14)11-13;19-18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-9,11-13H,10H2;3-11,13H,12H2,1-2H3;2-12H,13H2,1H3;1-5,7-9,11-12H,6,10H2;1-9,11H,10H2;1-11H,12H2;1-12H,13H2.
What are the key properties of 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone?
1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone has a molecular weight of 2142.01 g/mol, XLogP of 35.45, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone is sourced from PubChem (CID 158243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).