5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline

C25H27N — CID 140789925

IUPAC5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccccc4)c3)ncc21
InChIInChI=1S/C25H27N/c1-24(2)13-14-25(3,4)22-17-26-23(16-21(22)24)20-12-8-11-19(15-20)18-9-6-5-7-10-18/h5-12,15-17H,13-14H2,1-4H3
InChIKeyAUMWZWLJDGSDGL-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.76
Rot. Bonds2

About 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline

5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline (PubChem CID 140789925) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
PubChem CID140789925
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccccc4)c3)ncc21
InChIInChI=1S/C25H27N/c1-24(2)13-14-25(3,4)22-17-26-23(16-21(22)24)20-12-8-11-19(15-20)18-9-6-5-7-10-18/h5-12,15-17H,13-14H2,1-4H3
InChIKeyAUMWZWLJDGSDGL-UHFFFAOYSA-N
XLogP6.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline?
The IUPAC name of 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline (CID 140789925) is 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline?
The canonical SMILES for 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline is CC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccccc4)c3)ncc21.
What is the InChIKey of 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline?
The InChIKey is AUMWZWLJDGSDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-24(2)13-14-25(3,4)22-17-26-23(16-21(22)24)20-12-8-11-19(15-20)18-9-6-5-7-10-18/h5-12,15-17H,13-14H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline?
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline has a molecular weight of 341.50 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline is sourced from PubChem (CID 140789925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).