N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline

C28H24N2 — CID 3098264

IUPACN-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline
SMILESc1ccc(NCc2c3ccccc3c(CNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C28H24N2/c1-3-11-21(12-4-1)29-19-27-23-15-7-9-17-25(23)28(26-18-10-8-16-24(26)27)20-30-22-13-5-2-6-14-22/h1-18,29-30H,19-20H2
InChIKeyOGSNOBAUXKULTO-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.22
Rot. Bonds6

About N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline

N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline (PubChem CID 3098264) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline
PubChem CID3098264
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC NameN-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline
SMILESc1ccc(NCc2c3ccccc3c(CNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C28H24N2/c1-3-11-21(12-4-1)29-19-27-23-15-7-9-17-25(23)28(26-18-10-8-16-24(26)27)20-30-22-13-5-2-6-14-22/h1-18,29-30H,19-20H2
InChIKeyOGSNOBAUXKULTO-UHFFFAOYSA-N
XLogP7.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline 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 N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline?
The IUPAC name of N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline (CID 3098264) is N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline.
What is the SMILES notation for N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline?
The canonical SMILES for N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline is c1ccc(NCc2c3ccccc3c(CNc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline?
The InChIKey is OGSNOBAUXKULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-3-11-21(12-4-1)29-19-27-23-15-7-9-17-25(23)28(26-18-10-8-16-24(26)27)20-30-22-13-5-2-6-14-22/h1-18,29-30H,19-20H2.
What are the key properties of N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline?
N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline has a molecular weight of 388.51 g/mol, XLogP of 7.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[10-(anilinomethyl)anthracen-9-yl]methyl]aniline is sourced from PubChem (CID 3098264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).