4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline

C46H32Br2N4 — CID 57342783

IUPAC4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
SMILESBrc1cncc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1-c1c(Br)cncc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H32Br2N4/c47-43-31-49-29-41(33-21-25-39(26-22-33)51(35-13-5-1-6-14-35)36-15-7-2-8-16-36)45(43)46-42(30-50-32-44(46)48)34-23-27-40(28-24-34)52(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyDHDXGOSCBGNOSE-UHFFFAOYSA-N
MW800.60 g/mol
LogP13.94
Rot. Bonds9

About 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline

4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline (PubChem CID 57342783) has the molecular formula C46H32Br2N4 and a molecular weight of 800.60 g/mol. Its IUPAC name is 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
PubChem CID57342783
Molecular FormulaC46H32Br2N4
Molecular Weight800.60 g/mol
Exact Mass798.10
IUPAC Name4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
SMILESBrc1cncc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1-c1c(Br)cncc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H32Br2N4/c47-43-31-49-29-41(33-21-25-39(26-22-33)51(35-13-5-1-6-14-35)36-15-7-2-8-16-36)45(43)46-42(30-50-32-44(46)48)34-23-27-40(28-24-34)52(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyDHDXGOSCBGNOSE-UHFFFAOYSA-N
XLogP13.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.60
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[2-[4-[[4-[bis(prop-2-enyl)amino]pyridin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]-N,N-bis(prop-2-enyl)pyridin-1-ium-4-amine dibromide
CID 10723546
N-methyl-1-[[3-[3-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 11227850
N-methyl-1-[[3-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 10258491
4-Cyclohexyl-1-[[3-[3-[(4-cyclohexylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52951935
4-Phenyl-1-[[3-[3-[(4-phenylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52952035
N-methyl-1-[[4-[4-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 11366063
2-Bromo-1-[6-(2-bromo-1-pyridiniumyl)-2-naphthyl]pyridinium
CID 3355449
N,N-diphenyl-4(pyridine-4-yl)aniline
CID 101469024
4,4',4''-(Nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
CID 146672916
4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline
CID 102430683
4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline
CID 102430684
4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 139260997

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline (CID 57342783) is 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline is Brc1cncc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1-c1c(Br)cncc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline?
The InChIKey is DHDXGOSCBGNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32Br2N4/c47-43-31-49-29-41(33-21-25-39(26-22-33)51(35-13-5-1-6-14-35)36-15-7-2-8-16-36)45(43)46-42(30-50-32-44(46)48)34-23-27-40(28-24-34)52(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H.
What are the key properties of 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline?
4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline has a molecular weight of 800.60 g/mol, XLogP of 13.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline is sourced from PubChem (CID 57342783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).