2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine

C18H20N6 — CID 135123549

IUPAC2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
SMILESNc1ccc(Nc2cc(Nc3ccc(N)cc3)c(N)cc2N)cc1
InChIInChI=1S/C18H20N6/c19-11-1-5-13(6-2-11)23-17-10-18(16(22)9-15(17)21)24-14-7-3-12(20)4-8-14/h1-10,23-24H,19-22H2
InChIKeyIWLHINLEIRIXLZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.50
Rot. Bonds4

About 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine

2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine (PubChem CID 135123549) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
PubChem CID135123549
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
SMILESNc1ccc(Nc2cc(Nc3ccc(N)cc3)c(N)cc2N)cc1
InChIInChI=1S/C18H20N6/c19-11-1-5-13(6-2-11)23-17-10-18(16(22)9-15(17)21)24-14-7-3-12(20)4-8-14/h1-10,23-24H,19-22H2
InChIKeyIWLHINLEIRIXLZ-UHFFFAOYSA-N
XLogP3.50
TPSA128.14 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 53.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine?
The IUPAC name of 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine (CID 135123549) is 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine.
What is the SMILES notation for 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine?
The canonical SMILES for 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine is Nc1ccc(Nc2cc(Nc3ccc(N)cc3)c(N)cc2N)cc1.
What is the InChIKey of 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine?
The InChIKey is IWLHINLEIRIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c19-11-1-5-13(6-2-11)23-17-10-18(16(22)9-15(17)21)24-14-7-3-12(20)4-8-14/h1-10,23-24H,19-22H2.
What are the key properties of 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine?
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine has a molecular weight of 320.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine is sourced from PubChem (CID 135123549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).