4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C50H36N4 — CID 59259780

IUPAC4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2nc3cccc(-c4ccccc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H36N4/c1-6-17-37(18-7-1)46-27-16-28-47-50(46)52-49(48(51-47)38-19-8-2-9-20-38)39-29-31-43(32-30-39)54(42-25-14-5-15-26-42)45-35-33-44(34-36-45)53(40-21-10-3-11-22-40)41-23-12-4-13-24-41/h1-36H
InChIKeyWWMPVQBOKSMVGK-UHFFFAOYSA-N
MW692.87 g/mol
LogP13.57
Rot. Bonds9

About 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 59259780) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID59259780
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESc1ccc(-c2nc3cccc(-c4ccccc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H36N4/c1-6-17-37(18-7-1)46-27-16-28-47-50(46)52-49(48(51-47)38-19-8-2-9-20-38)39-29-31-43(32-30-39)54(42-25-14-5-15-26-42)45-35-33-44(34-36-45)53(40-21-10-3-11-22-40)41-23-12-4-13-24-41/h1-36H
InChIKeyWWMPVQBOKSMVGK-UHFFFAOYSA-N
XLogP13.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.87
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143543405
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
CID 59259894
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
4-N-[4-[5-tert-butyl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259732
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-5-[4-[3-[4-[5-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[3-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 159820457
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
CID 143543257
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988993
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 59259780) is 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is c1ccc(-c2nc3cccc(-c4ccccc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is WWMPVQBOKSMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4/c1-6-17-37(18-7-1)46-27-16-28-47-50(46)52-49(48(51-47)38-19-8-2-9-20-38)39-29-31-43(32-30-39)54(42-25-14-5-15-26-42)45-35-33-44(34-36-45)53(40-21-10-3-11-22-40)41-23-12-4-13-24-41/h1-36H.
What are the key properties of 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 692.87 g/mol, XLogP of 13.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 59259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).