methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium

C25H20NS2+ — CID 163669867

IUPACmethyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium
SMILESC[NH+](c1ccccc1)c1ccc(-c2ccc(-c3cccc4ccccc34)s2)s1
InChIInChI=1S/C25H19NS2/c1-26(19-10-3-2-4-11-19)25-17-16-24(28-25)23-15-14-22(27-23)21-13-7-9-18-8-5-6-12-20(18)21/h2-17H,1H3/p+1
InChIKeyJBOKXYXRVXYPAH-UHFFFAOYSA-O
MW398.58 g/mol
LogP6.77
Rot. Bonds4

About methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium

methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium (PubChem CID 163669867) has the molecular formula C25H20NS2+ and a molecular weight of 398.58 g/mol. Its IUPAC name is methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium.

Molecular Properties

Compound Namemethyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium
PubChem CID163669867
Molecular FormulaC25H20NS2+
Molecular Weight398.58 g/mol
Exact Mass398.10
IUPAC Namemethyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium
SMILESC[NH+](c1ccccc1)c1ccc(-c2ccc(-c3cccc4ccccc34)s2)s1
InChIInChI=1S/C25H19NS2/c1-26(19-10-3-2-4-11-19)25-17-16-24(28-25)23-15-14-22(27-23)21-13-7-9-18-8-5-6-12-20(18)21/h2-17H,1H3/p+1
InChIKeyJBOKXYXRVXYPAH-UHFFFAOYSA-O
XLogP6.77
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.58
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
CID 58281729
2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 177465509
(5-naphthalen-1-ylthiophen-2-yl)methanamine
CID 43154300
2-[5-(12-naphthalen-1-ylchrysen-6-yl)thiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 155655368
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium?
The IUPAC name of methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium (CID 163669867) is methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium.
What is the SMILES notation for methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium?
The canonical SMILES for methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium is C[NH+](c1ccccc1)c1ccc(-c2ccc(-c3cccc4ccccc34)s2)s1.
What is the InChIKey of methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium?
The InChIKey is JBOKXYXRVXYPAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19NS2/c1-26(19-10-3-2-4-11-19)25-17-16-24(28-25)23-15-14-22(27-23)21-13-7-9-18-8-5-6-12-20(18)21/h2-17H,1H3/p+1.
What are the key properties of methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium?
methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium has a molecular weight of 398.58 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium is sourced from PubChem (CID 163669867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).