2-benzyl-3,4-diphenylquinoline;dihydrochloride

C28H23Cl2N — CID 175553096

IUPAC2-benzyl-3,4-diphenylquinoline;dihydrochloride
SMILESCl.Cl.c1ccc(Cc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H21N.2ClH/c1-4-12-21(13-5-1)20-26-28(23-16-8-3-9-17-23)27(22-14-6-2-7-15-22)24-18-10-11-19-25(24)29-26;;/h1-19H,20H2;2*1H
InChIKeyQAAASBCKKNZHCM-UHFFFAOYSA-N
MW444.41 g/mol
LogP8.00
Rot. Bonds4

About 2-benzyl-3,4-diphenylquinoline;dihydrochloride

2-benzyl-3,4-diphenylquinoline;dihydrochloride (PubChem CID 175553096) has the molecular formula C28H23Cl2N and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-benzyl-3,4-diphenylquinoline;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-3,4-diphenylquinoline;dihydrochloride
PubChem CID175553096
Molecular FormulaC28H23Cl2N
Molecular Weight444.41 g/mol
Exact Mass443.12
IUPAC Name2-benzyl-3,4-diphenylquinoline;dihydrochloride
SMILESCl.Cl.c1ccc(Cc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H21N.2ClH/c1-4-12-21(13-5-1)20-26-28(23-16-8-3-9-17-23)27(22-14-6-2-7-15-22)24-18-10-11-19-25(24)29-26;;/h1-19H,20H2;2*1H
InChIKeyQAAASBCKKNZHCM-UHFFFAOYSA-N
XLogP8.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-diphenylquinoline;dihydrochloride?
The IUPAC name of 2-benzyl-3,4-diphenylquinoline;dihydrochloride (CID 175553096) is 2-benzyl-3,4-diphenylquinoline;dihydrochloride.
What is the SMILES notation for 2-benzyl-3,4-diphenylquinoline;dihydrochloride?
The canonical SMILES for 2-benzyl-3,4-diphenylquinoline;dihydrochloride is Cl.Cl.c1ccc(Cc2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3,4-diphenylquinoline;dihydrochloride?
The InChIKey is QAAASBCKKNZHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N.2ClH/c1-4-12-21(13-5-1)20-26-28(23-16-8-3-9-17-23)27(22-14-6-2-7-15-22)24-18-10-11-19-25(24)29-26;;/h1-19H,20H2;2*1H.
What are the key properties of 2-benzyl-3,4-diphenylquinoline;dihydrochloride?
2-benzyl-3,4-diphenylquinoline;dihydrochloride has a molecular weight of 444.41 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-diphenylquinoline;dihydrochloride is sourced from PubChem (CID 175553096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).