3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline

C30H22F3N — CID 11487827

IUPAC3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ccc2c(CCc3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C30H22F3N/c31-30(32,33)24-17-18-25-26(20-24)28(22-12-6-2-7-13-22)29(23-14-8-3-9-15-23)34-27(25)19-16-21-10-4-1-5-11-21/h1-15,17-18,20H,16,19H2
InChIKeyYDBZTOQXOYKTRX-UHFFFAOYSA-N
MW453.51 g/mol
LogP8.37
Rot. Bonds5

About 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline

3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline (PubChem CID 11487827) has the molecular formula C30H22F3N and a molecular weight of 453.51 g/mol. Its IUPAC name is 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline
PubChem CID11487827
Molecular FormulaC30H22F3N
Molecular Weight453.51 g/mol
Exact Mass453.17
IUPAC Name3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ccc2c(CCc3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C30H22F3N/c31-30(32,33)24-17-18-25-26(20-24)28(22-12-6-2-7-13-22)29(23-14-8-3-9-15-23)34-27(25)19-16-21-10-4-1-5-11-21/h1-15,17-18,20H,16,19H2
InChIKeyYDBZTOQXOYKTRX-UHFFFAOYSA-N
XLogP8.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
7,10-Dimethylbenz(c)acridine
CID 16936
Benzo[h]quinoline, 2,4-dimethyl-
CID 610182
9-Phenylacridine
CID 69041
2,4,6-Triphenylpyridine
CID 136370

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline?
The IUPAC name of 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline (CID 11487827) is 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline?
The canonical SMILES for 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline is FC(F)(F)c1ccc2c(CCc3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline?
The InChIKey is YDBZTOQXOYKTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N/c31-30(32,33)24-17-18-25-26(20-24)28(22-12-6-2-7-13-22)29(23-14-8-3-9-15-23)34-27(25)19-16-21-10-4-1-5-11-21/h1-15,17-18,20H,16,19H2.
What are the key properties of 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline?
3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline has a molecular weight of 453.51 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(2-phenylethyl)-6-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 11487827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).