ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene

C54H58O — CID 90756691

IUPACethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene
SMILESCCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1
InChIInChI=1S/C22H18O.4C8H10/c1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;4*1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;4*3-7H,2H2,1H3
InChIKeyUGMFZQUABQWRHQ-UHFFFAOYSA-N
MW723.06 g/mol
LogP15.40
Rot. Bonds6

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

ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene (PubChem CID 90756691) has the molecular formula C54H58O and a molecular weight of 723.06 g/mol. Its IUPAC name is ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene.

Molecular Properties

Compound Nameethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene
PubChem CID90756691
Molecular FormulaC54H58O
Molecular Weight723.06 g/mol
Exact Mass722.45
IUPAC Nameethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene
SMILESCCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1
InChIInChI=1S/C22H18O.4C8H10/c1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;4*1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;4*3-7H,2H2,1H3
InChIKeyUGMFZQUABQWRHQ-UHFFFAOYSA-N
XLogP15.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.06
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene?
The IUPAC name of ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene (CID 90756691) is ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene.
What is the SMILES notation for ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene?
The canonical SMILES for ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene is CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.Cc1ccc2ccc(Oc3ccc4ccc(C)cc4c3)cc2c1.
What is the InChIKey of ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene?
The InChIKey is UGMFZQUABQWRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O.4C8H10/c1-15-3-5-17-7-9-21(13-19(17)11-15)23-22-10-8-18-6-4-16(2)12-20(18)14-22;4*1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;4*3-7H,2H2,1H3.
What are the key properties of ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene?
ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene has a molecular weight of 723.06 g/mol, XLogP of 15.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene is sourced from PubChem (CID 90756691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).