1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine

C50H36N4 — CID 59259894

IUPAC1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H36N4/c1-5-17-37(18-6-1)45-25-13-16-28-48(45)54(41-23-11-4-12-24-41)44-35-33-43(34-36-44)53(40-21-9-3-10-22-40)42-31-29-39(30-32-42)50-49(38-19-7-2-8-20-38)51-46-26-14-15-27-47(46)52-50/h1-36H
InChIKeyNKBLOIDCROKAIT-UHFFFAOYSA-N
MW692.87 g/mol
LogP13.57
Rot. Bonds9

About 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine

1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 59259894) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
PubChem CID59259894
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H36N4/c1-5-17-37(18-6-1)45-25-13-16-28-48(45)54(41-23-11-4-12-24-41)44-35-33-43(34-36-44)53(40-21-9-3-10-22-40)42-31-29-39(30-32-42)50-49(38-19-7-2-8-20-38)51-46-26-14-15-27-47(46)52-50/h1-36H
InChIKeyNKBLOIDCROKAIT-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

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Related Compounds

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
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
CID 88592158
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
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
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
CID 70898532
1-N-cyclohexa-1,5-dien-1-yl-4-N-(2-phenylphenyl)-4-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine;ethane
CID 143543406
5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988993

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine (CID 59259894) is 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is NKBLOIDCROKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4/c1-5-17-37(18-6-1)45-25-13-16-28-48(45)54(41-23-11-4-12-24-41)44-35-33-43(34-36-44)53(40-21-9-3-10-22-40)42-31-29-39(30-32-42)50-49(38-19-7-2-8-20-38)51-46-26-14-15-27-47(46)52-50/h1-36H.
What are the key properties of 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine?
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-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 1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 59259894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).