8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline

C25H25N — CID 155619475

IUPAC8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
SMILESCc1cc(C)cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)c1
InChIInChI=1S/C25H25N/c1-16-12-17(2)14-19(13-16)24-23-8-6-18-15-20(25(3,4)5)7-9-21(18)22(23)10-11-26-24/h6-15H,1-5H3
InChIKeyZAWWNBHRVWZMQP-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.97
Rot. Bonds1

About 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline

8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline (PubChem CID 155619475) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline.

Molecular Properties

Compound Name8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
PubChem CID155619475
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
SMILESCc1cc(C)cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)c1
InChIInChI=1S/C25H25N/c1-16-12-17(2)14-19(13-16)24-23-8-6-18-15-20(25(3,4)5)7-9-21(18)22(23)10-11-26-24/h6-15H,1-5H3
InChIKeyZAWWNBHRVWZMQP-UHFFFAOYSA-N
XLogP6.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.97
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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Related Compounds

4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropoxy)benzo[f]isoquinoline
CID 166015696
1-(3,5-dimethylphenyl)-6-(1,1,1-trifluoro-2-methylpropan-2-yl)isoquinoline
CID 167260716
1-(3-tert-butyl-5-methylphenyl)-6-methylisoquinoline
CID 153463406
8-tert-butyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 159294940
4-(3,5-dimethylphenyl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline
CID 154589558
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline?
The IUPAC name of 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline (CID 155619475) is 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline.
What is the SMILES notation for 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline?
The canonical SMILES for 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline is Cc1cc(C)cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)c1.
What is the InChIKey of 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline?
The InChIKey is ZAWWNBHRVWZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-16-12-17(2)14-19(13-16)24-23-8-6-18-15-20(25(3,4)5)7-9-21(18)22(23)10-11-26-24/h6-15H,1-5H3.
What are the key properties of 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline?
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline has a molecular weight of 339.48 g/mol, XLogP of 6.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline is sourced from PubChem (CID 155619475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).