1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine

C18H10Br2Cl4N2 — CID 139138135

IUPAC1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
SMILESClc1c(Cl)c(Nc2ccc(Br)cc2)c(Cl)c(Cl)c1Nc1ccc(Br)cc1
InChIInChI=1S/C18H10Br2Cl4N2/c19-9-1-5-11(6-2-9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-7-3-10(20)4-8-12/h1-8,25-26H
InChIKeyUXCUGQKMGVWEFB-UHFFFAOYSA-N
MW555.91 g/mol
LogP9.31
Rot. Bonds4

About 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine

1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine (PubChem CID 139138135) has the molecular formula C18H10Br2Cl4N2 and a molecular weight of 555.91 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
PubChem CID139138135
Molecular FormulaC18H10Br2Cl4N2
Molecular Weight555.91 g/mol
Exact Mass551.80
IUPAC Name1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
SMILESClc1c(Cl)c(Nc2ccc(Br)cc2)c(Cl)c(Cl)c1Nc1ccc(Br)cc1
InChIInChI=1S/C18H10Br2Cl4N2/c19-9-1-5-11(6-2-9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-7-3-10(20)4-8-12/h1-8,25-26H
InChIKeyUXCUGQKMGVWEFB-UHFFFAOYSA-N
XLogP9.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.91
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine (CID 139138135) is 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine is Clc1c(Cl)c(Nc2ccc(Br)cc2)c(Cl)c(Cl)c1Nc1ccc(Br)cc1.
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine?
The InChIKey is UXCUGQKMGVWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2Cl4N2/c19-9-1-5-11(6-2-9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-7-3-10(20)4-8-12/h1-8,25-26H.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine?
1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine has a molecular weight of 555.91 g/mol, XLogP of 9.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine is sourced from PubChem (CID 139138135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).