2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine

C30H28N6 — CID 23069489

IUPAC2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1N(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C30H28N6/c31-21-11-1-5-15-25(21)35(26-16-6-2-12-22(26)32)29-19-9-10-20-30(29)36(27-17-7-3-13-23(27)33)28-18-8-4-14-24(28)34/h1-20H,31-34H2
InChIKeyBWSJDRTXYXUHLC-UHFFFAOYSA-N
MW472.60 g/mol
LogP6.95
Rot. Bonds6

About 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine

2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine (PubChem CID 23069489) has the molecular formula C30H28N6 and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
PubChem CID23069489
Molecular FormulaC30H28N6
Molecular Weight472.60 g/mol
Exact Mass472.24
IUPAC Name2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1N)c1ccccc1N(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C30H28N6/c31-21-11-1-5-15-25(21)35(26-16-6-2-12-22(26)32)29-19-9-10-20-30(29)36(27-17-7-3-13-23(27)33)28-18-8-4-14-24(28)34/h1-20H,31-34H2
InChIKeyBWSJDRTXYXUHLC-UHFFFAOYSA-N
XLogP6.95
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 56.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine (CID 23069489) is 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine is Nc1ccccc1N(c1ccccc1N)c1ccccc1N(c1ccccc1N)c1ccccc1N.
What is the InChIKey of 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine?
The InChIKey is BWSJDRTXYXUHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6/c31-21-11-1-5-15-25(21)35(26-16-6-2-12-22(26)32)29-19-9-10-20-30(29)36(27-17-7-3-13-23(27)33)28-18-8-4-14-24(28)34/h1-20H,31-34H2.
What are the key properties of 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine?
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine has a molecular weight of 472.60 g/mol, XLogP of 6.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine is sourced from PubChem (CID 23069489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).