[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine

C26H22N2S — CID 44633336

IUPAC[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2ccc3sc4ccc(-c5cccc(CN)c5)cc4c3c2)c1
InChIInChI=1S/C26H22N2S/c27-15-17-3-1-5-19(11-17)21-7-9-25-23(13-21)24-14-22(8-10-26(24)29-25)20-6-2-4-18(12-20)16-28/h1-14H,15-16,27-28H2
InChIKeyUSZBFUUWJMCHCV-UHFFFAOYSA-N
MW394.54 g/mol
LogP6.31
Rot. Bonds4

About [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine

[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine (PubChem CID 44633336) has the molecular formula C26H22N2S and a molecular weight of 394.54 g/mol. Its IUPAC name is [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine
PubChem CID44633336
Molecular FormulaC26H22N2S
Molecular Weight394.54 g/mol
Exact Mass394.15
IUPAC Name[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine
SMILESNCc1cccc(-c2ccc3sc4ccc(-c5cccc(CN)c5)cc4c3c2)c1
InChIInChI=1S/C26H22N2S/c27-15-17-3-1-5-19(11-17)21-7-9-25-23(13-21)24-14-22(8-10-26(24)29-25)20-6-2-4-18(12-20)16-28/h1-14H,15-16,27-28H2
InChIKeyUSZBFUUWJMCHCV-UHFFFAOYSA-N
XLogP6.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine?
The IUPAC name of [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine (CID 44633336) is [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine is NCc1cccc(-c2ccc3sc4ccc(-c5cccc(CN)c5)cc4c3c2)c1.
What is the InChIKey of [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine?
The InChIKey is USZBFUUWJMCHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2S/c27-15-17-3-1-5-19(11-17)21-7-9-25-23(13-21)24-14-22(8-10-26(24)29-25)20-6-2-4-18(12-20)16-28/h1-14H,15-16,27-28H2.
What are the key properties of [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine?
[3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine has a molecular weight of 394.54 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-[3-(aminomethyl)phenyl]dibenzothiophen-2-yl]phenyl]methanamine is sourced from PubChem (CID 44633336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).