4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline

C36H24Br4N2 — CID 130200071

IUPAC4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(-c3ccc(Br)cc3)c2-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C36H24Br4N2/c37-25-9-1-21(2-10-25)33-29(17-19-31(41)35(33)23-5-13-27(39)14-6-23)30-18-20-32(42)36(24-7-15-28(40)16-8-24)34(30)22-3-11-26(38)12-4-22/h1-20H,41-42H2
InChIKeyUJPTZDZIVCZXSM-UHFFFAOYSA-N
MW804.22 g/mol
LogP12.24
Rot. Bonds5

About 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline

4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline (PubChem CID 130200071) has the molecular formula C36H24Br4N2 and a molecular weight of 804.22 g/mol. Its IUPAC name is 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline.

Molecular Properties

Compound Name4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline
PubChem CID130200071
Molecular FormulaC36H24Br4N2
Molecular Weight804.22 g/mol
Exact Mass799.87
IUPAC Name4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline
SMILESNc1ccc(-c2ccc(N)c(-c3ccc(Br)cc3)c2-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C36H24Br4N2/c37-25-9-1-21(2-10-25)33-29(17-19-31(41)35(33)23-5-13-27(39)14-6-23)30-18-20-32(42)36(24-7-15-28(40)16-8-24)34(30)22-3-11-26(38)12-4-22/h1-20H,41-42H2
InChIKeyUJPTZDZIVCZXSM-UHFFFAOYSA-N
XLogP12.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.22
LogP ≤ 512.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline?
The IUPAC name of 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline (CID 130200071) is 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline.
What is the SMILES notation for 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline?
The canonical SMILES for 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline is Nc1ccc(-c2ccc(N)c(-c3ccc(Br)cc3)c2-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline?
The InChIKey is UJPTZDZIVCZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Br4N2/c37-25-9-1-21(2-10-25)33-29(17-19-31(41)35(33)23-5-13-27(39)14-6-23)30-18-20-32(42)36(24-7-15-28(40)16-8-24)34(30)22-3-11-26(38)12-4-22/h1-20H,41-42H2.
What are the key properties of 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline?
4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline has a molecular weight of 804.22 g/mol, XLogP of 12.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2,3-bis(4-bromophenyl)phenyl]-2,3-bis(4-bromophenyl)aniline is sourced from PubChem (CID 130200071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).