[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride

C27H23Cl2N3 — CID 173038029

IUPAC[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(-c2nc3ccnc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H
InChIKeyXKCDIUBRXNCBRC-UHFFFAOYSA-N
MW460.41 g/mol
LogP6.93
Rot. Bonds4

About [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride

[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride (PubChem CID 173038029) has the molecular formula C27H23Cl2N3 and a molecular weight of 460.41 g/mol. Its IUPAC name is [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
PubChem CID173038029
Molecular FormulaC27H23Cl2N3
Molecular Weight460.41 g/mol
Exact Mass459.13
IUPAC Name[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(-c2nc3ccnc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H
InChIKeyXKCDIUBRXNCBRC-UHFFFAOYSA-N
XLogP6.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride (CID 173038029) is [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccc(-c2nc3ccnc(-c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is XKCDIUBRXNCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H.
What are the key properties of [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride?
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 460.41 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 173038029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).