6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine

C29H21BrN2 — CID 121383405

IUPAC6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C29H21BrN2/c30-29-20-19-28(21-31-29)32(26-15-11-24(12-16-26)22-7-3-1-4-8-22)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H
InChIKeyQKPIQEWAPUPKPZ-UHFFFAOYSA-N
MW477.41 g/mol
LogP8.65
Rot. Bonds5

About 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine

6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine (PubChem CID 121383405) has the molecular formula C29H21BrN2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
PubChem CID121383405
Molecular FormulaC29H21BrN2
Molecular Weight477.41 g/mol
Exact Mass476.09
IUPAC Name6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C29H21BrN2/c30-29-20-19-28(21-31-29)32(26-15-11-24(12-16-26)22-7-3-1-4-8-22)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H
InChIKeyQKPIQEWAPUPKPZ-UHFFFAOYSA-N
XLogP8.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromophenyl)phenyl]-N,6-diphenylpyridin-3-amine
CID 134182572
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine (CID 121383405) is 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine?
The InChIKey is QKPIQEWAPUPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21BrN2/c30-29-20-19-28(21-31-29)32(26-15-11-24(12-16-26)22-7-3-1-4-8-22)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H.
What are the key properties of 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine?
6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine has a molecular weight of 477.41 g/mol, XLogP of 8.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 121383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).