N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine

C31H34N2 — CID 10274591

IUPACN,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine
SMILESc1ccc(-c2ccc(CNCCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C31H34N2/c1-4-10-28(11-5-1)30-18-14-26(15-19-30)24-32-22-8-3-9-23-33-25-27-16-20-31(21-17-27)29-12-6-2-7-13-29/h1-2,4-7,10-21,32-33H,3,8-9,22-25H2
InChIKeyXWPAZWAWSCIBOP-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.07
Rot. Bonds12

About N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine

N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine (PubChem CID 10274591) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine
PubChem CID10274591
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC NameN,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine
SMILESc1ccc(-c2ccc(CNCCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C31H34N2/c1-4-10-28(11-5-1)30-18-14-26(15-19-30)24-32-22-8-3-9-23-33-25-27-16-20-31(21-17-27)29-12-6-2-7-13-29/h1-2,4-7,10-21,32-33H,3,8-9,22-25H2
InChIKeyXWPAZWAWSCIBOP-UHFFFAOYSA-N
XLogP7.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine?
The IUPAC name of N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine (CID 10274591) is N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine?
The canonical SMILES for N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine is c1ccc(-c2ccc(CNCCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine?
The InChIKey is XWPAZWAWSCIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-4-10-28(11-5-1)30-18-14-26(15-19-30)24-32-22-8-3-9-23-33-25-27-16-20-31(21-17-27)29-12-6-2-7-13-29/h1-2,4-7,10-21,32-33H,3,8-9,22-25H2.
What are the key properties of N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine?
N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine has a molecular weight of 434.63 g/mol, XLogP of 7.07, 12 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]pentane-1,5-diamine is sourced from PubChem (CID 10274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).