1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline

C29H25N — CID 160990308

IUPAC1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline
SMILESCc1cc(C)cc(-c2ncc(C)c3ccc4cc(C)c(-c5ccccc5)cc4c23)c1
InChIInChI=1S/C29H25N/c1-18-12-19(2)14-24(13-18)29-28-25(21(4)17-30-29)11-10-23-15-20(3)26(16-27(23)28)22-8-6-5-7-9-22/h5-17H,1-4H3
InChIKeyZKIQUFNCNKVWFG-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.96
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline

1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline (PubChem CID 160990308) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline
PubChem CID160990308
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline
SMILESCc1cc(C)cc(-c2ncc(C)c3ccc4cc(C)c(-c5ccccc5)cc4c23)c1
InChIInChI=1S/C29H25N/c1-18-12-19(2)14-24(13-18)29-28-25(21(4)17-30-29)11-10-23-15-20(3)26(16-27(23)28)22-8-6-5-7-9-22/h5-17H,1-4H3
InChIKeyZKIQUFNCNKVWFG-UHFFFAOYSA-N
XLogP7.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-tert-butyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 159294940
8-cyclohexyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 156512323
1-(3,5-dimethylbenzene-6-id-1-yl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162451971
5-[7-(3,5-dimethylphenyl)-3-(4,6-dimethyl-3-pyridinyl)-5,9-diphenylpyren-1-yl]-2,4-dimethylpyridine
CID 90293327
2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
CID 118103502
2,8-dimethyl-1-phenylpyrene
CID 175605682
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
4-(3,5-dimethylphenyl)-7-fluoro-1-methylbenzo[f]isoquinoline
CID 154589488
2,5-dimethyl-4-phenylpyridine
CID 603086
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
CID 140847672

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline?
The IUPAC name of 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline (CID 160990308) is 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline is Cc1cc(C)cc(-c2ncc(C)c3ccc4cc(C)c(-c5ccccc5)cc4c23)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline?
The InChIKey is ZKIQUFNCNKVWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-18-12-19(2)14-24(13-18)29-28-25(21(4)17-30-29)11-10-23-15-20(3)26(16-27(23)28)22-8-6-5-7-9-22/h5-17H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline?
1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline has a molecular weight of 387.53 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4,8-dimethyl-9-phenylbenzo[h]isoquinoline is sourced from PubChem (CID 160990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).