2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline

C104H75Br2N7 — CID 158301345

IUPAC2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline
SMILESBrc1ccc(-c2nccnc2-c2ccc(Br)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nccnc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H46N4.C24H19N.C16H10Br2N2/c1-5-13-47(14-6-1)51-21-33-57(34-22-51)67(58-35-23-52(24-36-58)48-15-7-2-8-16-48)61-41-29-55(30-42-61)63-64(66-46-45-65-63)56-31-43-62(44-32-56)68(59-37-25-53(26-38-59)49-17-9-3-10-18-49)60-39-27-54(28-40-60)50-19-11-4-12-20-50;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-46H;1-18,25H;1-10H
InChIKeyGMNMAZBWAULIHU-UHFFFAOYSA-N
MW1582.60 g/mol
LogP29.52
Rot. Bonds18

About 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline

2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline (PubChem CID 158301345) has the molecular formula C104H75Br2N7 and a molecular weight of 1582.60 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline
PubChem CID158301345
Molecular FormulaC104H75Br2N7
Molecular Weight1582.60 g/mol
Exact Mass1579.45
IUPAC Name2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline
SMILESBrc1ccc(-c2nccnc2-c2ccc(Br)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nccnc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H46N4.C24H19N.C16H10Br2N2/c1-5-13-47(14-6-1)51-21-33-57(34-22-51)67(58-35-23-52(24-36-58)48-15-7-2-8-16-48)61-41-29-55(30-42-61)63-64(66-46-45-65-63)56-31-43-62(44-32-56)68(59-37-25-53(26-38-59)49-17-9-3-10-18-49)60-39-27-54(28-40-60)50-19-11-4-12-20-50;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-46H;1-18,25H;1-10H
InChIKeyGMNMAZBWAULIHU-UHFFFAOYSA-N
XLogP29.52
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.60
LogP ≤ 529.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline?
The IUPAC name of 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline (CID 158301345) is 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline.
What is the SMILES notation for 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline?
The canonical SMILES for 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline is Brc1ccc(-c2nccnc2-c2ccc(Br)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nccnc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline?
The InChIKey is GMNMAZBWAULIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4.C24H19N.C16H10Br2N2/c1-5-13-47(14-6-1)51-21-33-57(34-22-51)67(58-35-23-52(24-36-58)48-15-7-2-8-16-48)61-41-29-55(30-42-61)63-64(66-46-45-65-63)56-31-43-62(44-32-56)68(59-37-25-53(26-38-59)49-17-9-3-10-18-49)60-39-27-54(28-40-60)50-19-11-4-12-20-50;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-46H;1-18,25H;1-10H.
What are the key properties of 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline?
2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline has a molecular weight of 1582.60 g/mol, XLogP of 29.52, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline is sourced from PubChem (CID 158301345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).