2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)

C196H204O4 — CID 159778845

IUPAC2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)
SMILESCCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1
InChIInChI=1S/4C22H18O.C12H12.12C8H10/c4*1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;1-9-3-5-11-6-4-10(2)8-12(11)7-9;12*1-2-8-6-4-3-5-7-8/h4*3-14H,1-2H3;3-8H,1-2H3;12*3-7H,2H2,1H3
InChIKeyNHCFQXMXCPSBDL-UHFFFAOYSA-N
MW2623.78 g/mol
LogP56.05
Rot. Bonds20

About 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)

2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene) (PubChem CID 159778845) has the molecular formula C196H204O4 and a molecular weight of 2623.78 g/mol. Its IUPAC name is 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene).

Molecular Properties

Compound Name2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)
PubChem CID159778845
Molecular FormulaC196H204O4
Molecular Weight2623.78 g/mol
Exact Mass2621.58
IUPAC Name2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)
SMILESCCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1
InChIInChI=1S/4C22H18O.C12H12.12C8H10/c4*1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;1-9-3-5-11-6-4-10(2)8-12(11)7-9;12*1-2-8-6-4-3-5-7-8/h4*3-14H,1-2H3;3-8H,1-2H3;12*3-7H,2H2,1H3
InChIKeyNHCFQXMXCPSBDL-UHFFFAOYSA-N
XLogP56.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002623.78
LogP ≤ 556.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)?
The IUPAC name of 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene) (CID 159778845) is 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene).
What is the SMILES notation for 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)?
The canonical SMILES for 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene) is CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.
What is the InChIKey of 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)?
The InChIKey is NHCFQXMXCPSBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H18O.C12H12.12C8H10/c4*1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;1-9-3-5-11-6-4-10(2)8-12(11)7-9;12*1-2-8-6-4-3-5-7-8/h4*3-14H,1-2H3;3-8H,1-2H3;12*3-7H,2H2,1H3.
What are the key properties of 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)?
2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene) has a molecular weight of 2623.78 g/mol, XLogP of 56.05, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene) is sourced from PubChem (CID 159778845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).