Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)

C18H12Br3N+ — CID 10897454

IUPAC—
SMILESBrc1ccc([N+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q+1
InChIKeyJMALIZSAHODQLH-UHFFFAOYSA-N
MW482.01 g/mol
LogP7.41
Rot. Bonds3

About Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)

Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+) (PubChem CID 10897454) has the molecular formula C18H12Br3N+ and a molecular weight of 482.01 g/mol.

Molecular Properties

Compound NameBenzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)
PubChem CID10897454
Molecular FormulaC18H12Br3N+
Molecular Weight482.01 g/mol
Exact Mass478.85
IUPAC Name—
SMILESBrc1ccc([N+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q+1
InChIKeyJMALIZSAHODQLH-UHFFFAOYSA-N
XLogP7.41
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)?
The IUPAC name of Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+) (CID 10897454) is not available.
What is the SMILES notation for Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)?
The canonical SMILES for Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+) is Brc1ccc([N+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)?
The InChIKey is JMALIZSAHODQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/q+1.
What are the key properties of Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+)?
Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+) has a molecular weight of 482.01 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-, radical ion(1+) is sourced from PubChem (CID 10897454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).