4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline

C58H44N4 — CID 59702496

IUPAC4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline
SMILESCc1cc(C)c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1
InChIInChI=1S/C58H44N4/c1-41-39-42(2)56-55(40-41)59-57(47-27-23-43(24-28-47)45-31-35-53(36-32-45)61(49-15-7-3-8-16-49)50-17-9-4-10-18-50)58(60-56)48-29-25-44(26-30-48)46-33-37-54(38-34-46)62(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-40H,1-2H3
InChIKeyGBSFDPADQFWQNX-UHFFFAOYSA-N
MW797.02 g/mol
LogP15.85
Rot. Bonds10

About 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline

4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline (PubChem CID 59702496) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline
PubChem CID59702496
Molecular FormulaC58H44N4
Molecular Weight797.02 g/mol
Exact Mass796.36
IUPAC Name4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline
SMILESCc1cc(C)c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1
InChIInChI=1S/C58H44N4/c1-41-39-42(2)56-55(40-41)59-57(47-27-23-43(24-28-47)45-31-35-53(36-32-45)61(49-15-7-3-8-16-49)50-17-9-4-10-18-50)58(60-56)48-29-25-44(26-30-48)46-33-37-54(38-34-46)62(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-40H,1-2H3
InChIKeyGBSFDPADQFWQNX-UHFFFAOYSA-N
XLogP15.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline 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 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline (CID 59702496) is 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline is Cc1cc(C)c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.
What is the InChIKey of 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is GBSFDPADQFWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-41-39-42(2)56-55(40-41)59-57(47-27-23-43(24-28-47)45-31-35-53(36-32-45)61(49-15-7-3-8-16-49)50-17-9-4-10-18-50)58(60-56)48-29-25-44(26-30-48)46-33-37-54(38-34-46)62(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-40H,1-2H3.
What are the key properties of 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline?
4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 797.02 g/mol, XLogP of 15.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 59702496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).