N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline

C32H26BrNO2 — CID 142716676

IUPACN-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline
SMILESBrc1ccc(N(c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H26BrNO2/c33-27-11-13-28(14-12-27)34(29-15-19-31(20-16-29)35-23-25-7-3-1-4-8-25)30-17-21-32(22-18-30)36-24-26-9-5-2-6-10-26/h1-22H,23-24H2
InChIKeyXSPFUEWSQPNHJK-UHFFFAOYSA-N
MW536.47 g/mol
LogP9.08
Rot. Bonds9

About N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline

N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline (PubChem CID 142716676) has the molecular formula C32H26BrNO2 and a molecular weight of 536.47 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline
PubChem CID142716676
Molecular FormulaC32H26BrNO2
Molecular Weight536.47 g/mol
Exact Mass535.11
IUPAC NameN-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline
SMILESBrc1ccc(N(c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H26BrNO2/c33-27-11-13-28(14-12-27)34(29-15-19-31(20-16-29)35-23-25-7-3-1-4-8-25)30-17-21-32(22-18-30)36-24-26-9-5-2-6-10-26/h1-22H,23-24H2
InChIKeyXSPFUEWSQPNHJK-UHFFFAOYSA-N
XLogP9.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.47
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline?
The IUPAC name of N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline (CID 142716676) is N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline?
The canonical SMILES for N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline is Brc1ccc(N(c2ccc(OCc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline?
The InChIKey is XSPFUEWSQPNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26BrNO2/c33-27-11-13-28(14-12-27)34(29-15-19-31(20-16-29)35-23-25-7-3-1-4-8-25)30-17-21-32(22-18-30)36-24-26-9-5-2-6-10-26/h1-22H,23-24H2.
What are the key properties of N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline?
N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline has a molecular weight of 536.47 g/mol, XLogP of 9.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)aniline is sourced from PubChem (CID 142716676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).