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

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
N,N-bis[4-[3-(4-methylphenyl)quinoxalin-2-yl]phenyl]-4-phenylaniline;N,N-bis[4-[4-[3-(4-methylphenyl)quinoxalin-2-yl]phenyl]phenyl]-4-phenylaniline;3-(3-methylquinoxalin-2-yl)-N-[3-(3-methylquinoxalin-2-yl)phenyl]-N-phenylaniline;3-[3-(3-methylquinoxalin-2-yl)phenyl]-N-[3-[3-(3-methylquinoxalin-2-yl)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]phenyl]aniline;N-phenyl-4-[3-(4-phenylphenyl)quinoxalin-2-yl]-N-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]aniline
CID 157113203
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 54172091
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780

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).