1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene

C28H22 — CID 123804574

IUPAC1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C28H22/c1-19-11-14-21(15-12-19)23-17-18-28(26-10-6-5-9-25(23)26)27-16-13-20(2)22-7-3-4-8-24(22)27/h3-18H,1-2H3
InChIKeyQWKZNZASUPRVOU-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.94
Rot. Bonds2

About 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene

1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 123804574) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
PubChem CID123804574
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C28H22/c1-19-11-14-21(15-12-19)23-17-18-28(26-10-6-5-9-25(23)26)27-16-13-20(2)22-7-3-4-8-24(22)27/h3-18H,1-2H3
InChIKeyQWKZNZASUPRVOU-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene (CID 123804574) is 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene is Cc1ccc(-c2ccc(-c3ccc(C)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is QWKZNZASUPRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-19-11-14-21(15-12-19)23-17-18-28(26-10-6-5-9-25(23)26)27-16-13-20(2)22-7-3-4-8-24(22)27/h3-18H,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene?
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 358.48 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 123804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).