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

C66H50BrN5 — CID 23594477

IUPACN-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]pyridin-4-amine
SMILESCc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(N(c5ccncc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(Br)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H50BrN5/c1-47-3-7-49(8-4-47)51-11-31-61(32-12-51)71(65-39-43-68-44-40-65)62-35-19-55(20-36-62)56-21-37-64(38-22-56)72(66-41-45-69-46-42-66)63-33-17-54(18-34-63)53-15-29-60(30-16-53)70(58-25-5-48(2)6-26-58)59-27-13-52(14-28-59)50-9-23-57(67)24-10-50/h3-46H,1-2H3
InChIKeyNEFXFXLAKGJHIA-UHFFFAOYSA-N
MW993.07 g/mol
LogP18.93
Rot. Bonds13

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

N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]pyridin-4-amine (PubChem CID 23594477) has the molecular formula C66H50BrN5 and a molecular weight of 993.07 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-(4-methylphenyl)phenyl]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-(4-methylphenyl)phenyl]pyridin-4-amine
PubChem CID23594477
Molecular FormulaC66H50BrN5
Molecular Weight993.07 g/mol
Exact Mass991.32
IUPAC NameN-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]pyridin-4-amine
SMILESCc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(N(c5ccncc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(Br)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H50BrN5/c1-47-3-7-49(8-4-47)51-11-31-61(32-12-51)71(65-39-43-68-44-40-65)62-35-19-55(20-36-62)56-21-37-64(38-22-56)72(66-41-45-69-46-42-66)63-33-17-54(18-34-63)53-15-29-60(30-16-53)70(58-25-5-48(2)6-26-58)59-27-13-52(14-28-59)50-9-23-57(67)24-10-50/h3-46H,1-2H3
InChIKeyNEFXFXLAKGJHIA-UHFFFAOYSA-N
XLogP18.93
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.07
LogP ≤ 518.93
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-(4-methylphenyl)phenyl]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
4-Piperidin-1-yl-1-[[4-[3-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]propyl]phenyl]methyl]pyridin-1-ium dibromide
CID 54582591
N,N-dimethyl-1-[[4-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium-4-amine dibromide
CID 76310370
N,N-dimethyl-1-[[4-[4-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]butyl]phenyl]methyl]pyridin-1-ium-4-amine dibromide
CID 76317589
N,N-dimethyl-1-[[4-[2-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium-4-amine dibromide
CID 76321316
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-Piperidin-1-yl-1-[[4-[2-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium dibromide
CID 10484792
1,1'-((Ethane-1,2-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide
CID 10722438
4-Piperidin-1-yl-1-[[4-[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 11158130
4-Piperidin-1-yl-1-[[4-[[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium dibromide
CID 54582589

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-(4-methylphenyl)phenyl]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-(4-methylphenyl)phenyl]pyridin-4-amine (CID 23594477) is N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]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-(4-methylphenyl)phenyl]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-(4-methylphenyl)phenyl]pyridin-4-amine is Cc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(N(c5ccncc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc(-c8ccc(Br)cc8)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-(4-methylphenyl)phenyl]pyridin-4-amine?
The InChIKey is NEFXFXLAKGJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50BrN5/c1-47-3-7-49(8-4-47)51-11-31-61(32-12-51)71(65-39-43-68-44-40-65)62-35-19-55(20-36-62)56-21-37-64(38-22-56)72(66-41-45-69-46-42-66)63-33-17-54(18-34-63)53-15-29-60(30-16-53)70(58-25-5-48(2)6-26-58)59-27-13-52(14-28-59)50-9-23-57(67)24-10-50/h3-46H,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-(4-methylphenyl)phenyl]pyridin-4-amine?
N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]pyridin-4-amine has a molecular weight of 993.07 g/mol, XLogP of 18.93, 13 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-(4-methylphenyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 23594477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).