2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline

C30H28N4O — CID 146642769

IUPAC2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(C(Cc3ccoc3)c3cc(-c4ccc(N)cc4)ccc3N)c2)cc1
InChIInChI=1S/C30H28N4O/c31-24-7-1-20(2-8-24)22-5-11-29(33)27(16-22)26(15-19-13-14-35-18-19)28-17-23(6-12-30(28)34)21-3-9-25(32)10-4-21/h1-14,16-18,26H,15,31-34H2
InChIKeyPLUWONYODJVFJE-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.32
Rot. Bonds6

About 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline

2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline (PubChem CID 146642769) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline.

Molecular Properties

Compound Name2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline
PubChem CID146642769
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(C(Cc3ccoc3)c3cc(-c4ccc(N)cc4)ccc3N)c2)cc1
InChIInChI=1S/C30H28N4O/c31-24-7-1-20(2-8-24)22-5-11-29(33)27(16-22)26(15-19-13-14-35-18-19)28-17-23(6-12-30(28)34)21-3-9-25(32)10-4-21/h1-14,16-18,26H,15,31-34H2
InChIKeyPLUWONYODJVFJE-UHFFFAOYSA-N
XLogP6.32
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline?
The IUPAC name of 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline (CID 146642769) is 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline.
What is the SMILES notation for 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline?
The canonical SMILES for 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline is Nc1ccc(-c2ccc(N)c(C(Cc3ccoc3)c3cc(-c4ccc(N)cc4)ccc3N)c2)cc1.
What is the InChIKey of 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline?
The InChIKey is PLUWONYODJVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c31-24-7-1-20(2-8-24)22-5-11-29(33)27(16-22)26(15-19-13-14-35-18-19)28-17-23(6-12-30(28)34)21-3-9-25(32)10-4-21/h1-14,16-18,26H,15,31-34H2.
What are the key properties of 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline?
2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline has a molecular weight of 460.58 g/mol, XLogP of 6.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-5-(4-aminophenyl)phenyl]-2-(furan-3-yl)ethyl]-4-(4-aminophenyl)aniline is sourced from PubChem (CID 146642769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).