3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline

C21H19N — CID 10850716

IUPAC3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2ncc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C21H19N/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyAKZDKUXMCMUTNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.29
Rot. Bonds2

About 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline

3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 10850716) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
PubChem CID10850716
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2ncc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C21H19N/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyAKZDKUXMCMUTNS-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline (CID 10850716) is 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline is c1ccc(-c2ncc3c(c2-c2ccccc2)CCCC3)cc1.
What is the InChIKey of 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is AKZDKUXMCMUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline?
3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 285.39 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 10850716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).