4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline

C68H48N4 — CID 58370929

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H48N4/c1-5-15-49(16-6-1)53-25-37-59(38-26-53)71(60-39-27-54(28-40-60)50-17-7-2-8-18-50)63-45-33-57(34-46-63)67-68(70-66-24-14-13-23-65(66)69-67)58-35-47-64(48-36-58)72(61-41-29-55(30-42-61)51-19-9-3-10-20-51)62-43-31-56(32-44-62)52-21-11-4-12-22-52/h1-48H
InChIKeyOYDQVZKRBYTTCO-UHFFFAOYSA-N
MW921.16 g/mol
LogP18.57
Rot. Bonds12

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline (PubChem CID 58370929) has the molecular formula C68H48N4 and a molecular weight of 921.16 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
PubChem CID58370929
Molecular FormulaC68H48N4
Molecular Weight921.16 g/mol
Exact Mass920.39
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H48N4/c1-5-15-49(16-6-1)53-25-37-59(38-26-53)71(60-39-27-54(28-40-60)50-17-7-2-8-18-50)63-45-33-57(34-46-63)67-68(70-66-24-14-13-23-65(66)69-67)58-35-47-64(48-36-58)72(61-41-29-55(30-42-61)51-19-9-3-10-20-51)62-43-31-56(32-44-62)52-21-11-4-12-22-52/h1-48H
InChIKeyOYDQVZKRBYTTCO-UHFFFAOYSA-N
XLogP18.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.16
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
CID 70898532
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
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-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
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
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)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
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline (CID 58370929) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline?
The InChIKey is OYDQVZKRBYTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N4/c1-5-15-49(16-6-1)53-25-37-59(38-26-53)71(60-39-27-54(28-40-60)50-17-7-2-8-18-50)63-45-33-57(34-46-63)67-68(70-66-24-14-13-23-65(66)69-67)58-35-47-64(48-36-58)72(61-41-29-55(30-42-61)51-19-9-3-10-20-51)62-43-31-56(32-44-62)52-21-11-4-12-22-52/h1-48H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline has a molecular weight of 921.16 g/mol, XLogP of 18.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline is sourced from PubChem (CID 58370929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).