3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline

C24H17Br2N — CID 141276571

IUPAC3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline
SMILESBrc1cccc(Nc2cccc(Br)c2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H17Br2N/c25-18-10-6-11-19(16-18)27-23-15-7-14-22(26)24(23)21-13-5-4-12-20(21)17-8-2-1-3-9-17/h1-16,27H
InChIKeyKHKCLQDBBYRPDV-UHFFFAOYSA-N
MW479.22 g/mol
LogP8.29
Rot. Bonds4

About 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline

3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline (PubChem CID 141276571) has the molecular formula C24H17Br2N and a molecular weight of 479.22 g/mol. Its IUPAC name is 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline
PubChem CID141276571
Molecular FormulaC24H17Br2N
Molecular Weight479.22 g/mol
Exact Mass476.97
IUPAC Name3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline
SMILESBrc1cccc(Nc2cccc(Br)c2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H17Br2N/c25-18-10-6-11-19(16-18)27-23-15-7-14-22(26)24(23)21-13-5-4-12-20(21)17-8-2-1-3-9-17/h1-16,27H
InChIKeyKHKCLQDBBYRPDV-UHFFFAOYSA-N
XLogP8.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.22
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
3-bromo-N-phenylaniline
CID 14958606
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
2-(3-bromoanilino)-N-(2-phenylphenyl)acetamide
CID 9080400
4-bromo-N-(4-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276570
benzene;N,2-diphenylaniline
CID 175029921
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
CID 175687151
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
CID 141276562
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline?
The IUPAC name of 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline (CID 141276571) is 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline.
What is the SMILES notation for 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline?
The canonical SMILES for 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline is Brc1cccc(Nc2cccc(Br)c2-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline?
The InChIKey is KHKCLQDBBYRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2N/c25-18-10-6-11-19(16-18)27-23-15-7-14-22(26)24(23)21-13-5-4-12-20(21)17-8-2-1-3-9-17/h1-16,27H.
What are the key properties of 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline?
3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline has a molecular weight of 479.22 g/mol, XLogP of 8.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromophenyl)-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 141276571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).