3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline

C21H19N — CID 101408194

IUPAC3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(-c2ccc(C3CNc4ccccc4C3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-19-8-4-5-9-21(19)22-15-20/h1-13,20,22H,14-15H2
InChIKeyKXQXIKSPOZFMEO-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.11
Rot. Bonds2

About 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline

3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 101408194) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID101408194
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(-c2ccc(C3CNc4ccccc4C3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-19-8-4-5-9-21(19)22-15-20/h1-13,20,22H,14-15H2
InChIKeyKXQXIKSPOZFMEO-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
CID 134443689
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 102550817
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
CID 155185600
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
(2S)-6-(1-hydroxypropyl)-2-[4-(1,2,3,4-tetrahydroquinolin-3-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 146504911

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline (CID 101408194) is 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline is c1ccc(-c2ccc(C3CNc4ccccc4C3)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KXQXIKSPOZFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-19-8-4-5-9-21(19)22-15-20/h1-13,20,22H,14-15H2.
What are the key properties of 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline?
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 101408194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).