N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine

C29H30N2 — CID 10112030

IUPACN,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine
SMILESc1ccc(-c2ccc(CNCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2/c1-3-8-26(9-4-1)28-16-12-24(13-17-28)22-30-20-7-21-31-23-25-14-18-29(19-15-25)27-10-5-2-6-11-27/h1-6,8-19,30-31H,7,20-23H2
InChIKeyXOYYGUGGKCXHGU-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.29
Rot. Bonds10

About N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine

N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine (PubChem CID 10112030) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine
PubChem CID10112030
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC NameN,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine
SMILESc1ccc(-c2ccc(CNCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2/c1-3-8-26(9-4-1)28-16-12-24(13-17-28)22-30-20-7-21-31-23-25-14-18-29(19-15-25)27-10-5-2-6-11-27/h1-6,8-19,30-31H,7,20-23H2
InChIKeyXOYYGUGGKCXHGU-UHFFFAOYSA-N
XLogP6.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine 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,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine (CID 10112030) is N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine is c1ccc(-c2ccc(CNCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine?
The InChIKey is XOYYGUGGKCXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-3-8-26(9-4-1)28-16-12-24(13-17-28)22-30-20-7-21-31-23-25-14-18-29(19-15-25)27-10-5-2-6-11-27/h1-6,8-19,30-31H,7,20-23H2.
What are the key properties of N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine?
N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine has a molecular weight of 406.57 g/mol, XLogP of 6.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 10112030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).