5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

C68H50N6 — CID 58988993

IUPAC5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C68H50N6/c1-9-25-51(26-10-1)65-66(52-27-11-2-12-28-52)70-68-64(74(58-39-23-8-24-40-58)62-47-43-60(44-48-62)72(55-33-17-5-18-34-55)56-35-19-6-20-36-56)50-49-63(67(68)69-65)73(57-37-21-7-22-38-57)61-45-41-59(42-46-61)71(53-29-13-3-14-30-53)54-31-15-4-16-32-54/h1-50H
InChIKeyBKRYMVPKYUTKHC-UHFFFAOYSA-N
MW951.19 g/mol
LogP18.84
Rot. Bonds14

About 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (PubChem CID 58988993) has the molecular formula C68H50N6 and a molecular weight of 951.19 g/mol. Its IUPAC name is 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.

Molecular Properties

Compound Name5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
PubChem CID58988993
Molecular FormulaC68H50N6
Molecular Weight951.19 g/mol
Exact Mass950.41
IUPAC Name5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C68H50N6/c1-9-25-51(26-10-1)65-66(52-27-11-2-12-28-52)70-68-64(74(58-39-23-8-24-40-58)62-47-43-60(44-48-62)72(55-33-17-5-18-34-55)56-35-19-6-20-36-56)50-49-63(67(68)69-65)73(57-37-21-7-22-38-57)61-45-41-59(42-46-61)71(53-29-13-3-14-30-53)54-31-15-4-16-32-54/h1-50H
InChIKeyBKRYMVPKYUTKHC-UHFFFAOYSA-N
XLogP18.84
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.19
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
10-N,10-N,13-N,13-N-tetrakis(4-phenylphenyl)phenanthro[9,10-b]quinoxaline-10,13-diamine
CID 58895026
5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988979
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The IUPAC name of 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (CID 58988993) is 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.
What is the SMILES notation for 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The canonical SMILES for 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The InChIKey is BKRYMVPKYUTKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N6/c1-9-25-51(26-10-1)65-66(52-27-11-2-12-28-52)70-68-64(74(58-39-23-8-24-40-58)62-47-43-60(44-48-62)72(55-33-17-5-18-34-55)56-35-19-6-20-36-56)50-49-63(67(68)69-65)73(57-37-21-7-22-38-57)61-45-41-59(42-46-61)71(53-29-13-3-14-30-53)54-31-15-4-16-32-54/h1-50H.
What are the key properties of 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine has a molecular weight of 951.19 g/mol, XLogP of 18.84, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is sourced from PubChem (CID 58988993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).