1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene

C28H21Cl — CID 177097132

IUPAC1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene
SMILESCc1ccc(-c2cccc(Cl)c2-c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C28H21Cl/c1-18-14-16-24(22-10-5-3-8-20(18)22)25-12-7-13-27(29)28(25)26-17-15-19(2)21-9-4-6-11-23(21)26/h3-17H,1-2H3
InChIKeyZHWBDWHTVAQUSH-UHFFFAOYSA-N
MW392.93 g/mol
LogP8.60
Rot. Bonds2

About 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene

1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene (PubChem CID 177097132) has the molecular formula C28H21Cl and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene
PubChem CID177097132
Molecular FormulaC28H21Cl
Molecular Weight392.93 g/mol
Exact Mass392.13
IUPAC Name1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene
SMILESCc1ccc(-c2cccc(Cl)c2-c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C28H21Cl/c1-18-14-16-24(22-10-5-3-8-20(18)22)25-12-7-13-27(29)28(25)26-17-15-19(2)21-9-4-6-11-23(21)26/h3-17H,1-2H3
InChIKeyZHWBDWHTVAQUSH-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene?
The IUPAC name of 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene (CID 177097132) is 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene?
The canonical SMILES for 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene is Cc1ccc(-c2cccc(Cl)c2-c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene?
The InChIKey is ZHWBDWHTVAQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl/c1-18-14-16-24(22-10-5-3-8-20(18)22)25-12-7-13-27(29)28(25)26-17-15-19(2)21-9-4-6-11-23(21)26/h3-17H,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene?
1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene has a molecular weight of 392.93 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methylnaphthalen-1-yl)phenyl]-4-methylnaphthalene is sourced from PubChem (CID 177097132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).