N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine

C60H46BrN5 — CID 23594462

IUPACN-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine
SMILESCc1ccc(N(c2ccncc2)c2ccc(-c3ccc(N(c4ccncc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H46BrN5/c1-43-3-21-52(22-4-43)64(54-25-9-46(10-26-54)45-7-19-51(61)20-8-45)55-27-11-47(12-28-55)49-15-31-57(32-16-49)66(60-37-41-63-42-38-60)58-33-17-50(18-34-58)48-13-29-56(30-14-48)65(59-35-39-62-40-36-59)53-23-5-44(2)6-24-53/h3-42H,1-2H3
InChIKeySITSALNRBGEJHJ-UHFFFAOYSA-N
MW916.97 g/mol
LogP17.27
Rot. Bonds12

About N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine

N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine (PubChem CID 23594462) has the molecular formula C60H46BrN5 and a molecular weight of 916.97 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine
PubChem CID23594462
Molecular FormulaC60H46BrN5
Molecular Weight916.97 g/mol
Exact Mass915.29
IUPAC NameN-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine
SMILESCc1ccc(N(c2ccncc2)c2ccc(-c3ccc(N(c4ccncc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H46BrN5/c1-43-3-21-52(22-4-43)64(54-25-9-46(10-26-54)45-7-19-51(61)20-8-45)55-27-11-47(12-28-55)49-15-31-57(32-16-49)66(60-37-41-63-42-38-60)58-33-17-50(18-34-58)48-13-29-56(30-14-48)65(59-35-39-62-40-36-59)53-23-5-44(2)6-24-53/h3-42H,1-2H3
InChIKeySITSALNRBGEJHJ-UHFFFAOYSA-N
XLogP17.27
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.97
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine with MolForge

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Related Compounds

1,1'-((Butane-1,4-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide
CID 52952144
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
1,1'-((Ethane-1,2-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide
CID 10722438
6-(4-bromophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 46927902
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
N-methyl-1-[[4-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 11763569
4,4',4''-(Nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
CID 146672916
4-(4-fluorophenyl)-N,N-bis(4-pyridin-4-ylphenyl)aniline
CID 102430684
4-(4-fluorophenyl)-N,N-bis(4-pyridin-3-ylphenyl)aniline
CID 139260998
4-(4-fluorophenyl)-N-(4-pyridin-3-ylphenyl)-N-(4-pyridin-4-ylphenyl)aniline
CID 139260999

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine?
The IUPAC name of N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine (CID 23594462) is N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine.
What is the SMILES notation for N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine?
The canonical SMILES for N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine is Cc1ccc(N(c2ccncc2)c2ccc(-c3ccc(N(c4ccncc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine?
The InChIKey is SITSALNRBGEJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46BrN5/c1-43-3-21-52(22-4-43)64(54-25-9-46(10-26-54)45-7-19-51(61)20-8-45)55-27-11-47(12-28-55)49-15-31-57(32-16-49)66(60-37-41-63-42-38-60)58-33-17-50(18-34-58)48-13-29-56(30-14-48)65(59-35-39-62-40-36-59)53-23-5-44(2)6-24-53/h3-42H,1-2H3.
What are the key properties of N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine?
N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine has a molecular weight of 916.97 g/mol, XLogP of 17.27, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 23594462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).