8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline

C25H19N — CID 118595089

IUPAC8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
SMILESCc1cccc(-c2nccc3c2ccc2c4ccc(C)cc4ccc32)c1
InChIInChI=1S/C25H19N/c1-16-4-3-5-19(15-16)25-24-11-10-21-20-8-6-17(2)14-18(20)7-9-22(21)23(24)12-13-26-25/h3-15H,1-2H3
InChIKeyJZCJYXWSUKIDPG-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.83
Rot. Bonds1

About 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline

8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline (PubChem CID 118595089) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline.

Molecular Properties

Compound Name8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
PubChem CID118595089
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
SMILESCc1cccc(-c2nccc3c2ccc2c4ccc(C)cc4ccc32)c1
InChIInChI=1S/C25H19N/c1-16-4-3-5-19(15-16)25-24-11-10-21-20-8-6-17(2)14-18(20)7-9-22(21)23(24)12-13-26-25/h3-15H,1-2H3
InChIKeyJZCJYXWSUKIDPG-UHFFFAOYSA-N
XLogP6.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline?
The IUPAC name of 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline (CID 118595089) is 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline.
What is the SMILES notation for 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline?
The canonical SMILES for 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline is Cc1cccc(-c2nccc3c2ccc2c4ccc(C)cc4ccc32)c1.
What is the InChIKey of 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline?
The InChIKey is JZCJYXWSUKIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-16-4-3-5-19(15-16)25-24-11-10-21-20-8-6-17(2)14-18(20)7-9-22(21)23(24)12-13-26-25/h3-15H,1-2H3.
What are the key properties of 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline?
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline has a molecular weight of 333.43 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline is sourced from PubChem (CID 118595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).