2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene

C24H18 — CID 15355669

IUPAC2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
SMILESCc1ccc2ccccc2c1C#Cc1c(C)ccc2ccccc12
InChIInChI=1S/C24H18/c1-17-11-13-19-7-3-5-9-23(19)21(17)15-16-22-18(2)12-14-20-8-4-6-10-24(20)22/h3-14H,1-2H3
InChIKeyLMGRMEBCKMYXGW-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.01
Rot. Bonds

About 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene

2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene (PubChem CID 15355669) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
PubChem CID15355669
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
SMILESCc1ccc2ccccc2c1C#Cc1c(C)ccc2ccccc12
InChIInChI=1S/C24H18/c1-17-11-13-19-7-3-5-9-23(19)21(17)15-16-22-18(2)12-14-20-8-4-6-10-24(20)22/h3-14H,1-2H3
InChIKeyLMGRMEBCKMYXGW-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene?
The IUPAC name of 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene (CID 15355669) is 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene.
What is the SMILES notation for 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene?
The canonical SMILES for 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene is Cc1ccc2ccccc2c1C#Cc1c(C)ccc2ccccc12.
What is the InChIKey of 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene?
The InChIKey is LMGRMEBCKMYXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-17-11-13-19-7-3-5-9-23(19)21(17)15-16-22-18(2)12-14-20-8-4-6-10-24(20)22/h3-14H,1-2H3.
What are the key properties of 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene?
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene has a molecular weight of 306.41 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene is sourced from PubChem (CID 15355669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).