2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile

C46H30N6 — CID 156781139

IUPAC2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
SMILESN#Cc1cc2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2cc1C#N
InChIInChI=1S/C46H30N6/c47-31-35-29-43-44(30-36(35)32-48)50-46(34-23-27-42(28-24-34)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40)45(49-43)33-21-25-41(26-22-33)51(37-13-5-1-6-14-37)38-15-7-2-8-16-38/h1-30H
InChIKeyFIYUTPLIPPTWEN-UHFFFAOYSA-N
MW666.79 g/mol
LogP11.65
Rot. Bonds8

About 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile

2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile (PubChem CID 156781139) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile.

Molecular Properties

Compound Name2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
PubChem CID156781139
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
SMILESN#Cc1cc2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2cc1C#N
InChIInChI=1S/C46H30N6/c47-31-35-29-43-44(30-36(35)32-48)50-46(34-23-27-42(28-24-34)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40)45(49-43)33-21-25-41(26-22-33)51(37-13-5-1-6-14-37)38-15-7-2-8-16-38/h1-30H
InChIKeyFIYUTPLIPPTWEN-UHFFFAOYSA-N
XLogP11.65
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
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-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenanthro[9,10-b]quinoxaline-11,12-dicarbonitrile
CID 146221726
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
9,20-bis[4-(N-phenylanilino)phenyl]hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene-14,15-dicarbonitrile
CID 59805341
5-[3-cyano-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 101239718
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile?
The IUPAC name of 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile (CID 156781139) is 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile.
What is the SMILES notation for 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile?
The canonical SMILES for 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile is N#Cc1cc2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2cc1C#N.
What is the InChIKey of 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile?
The InChIKey is FIYUTPLIPPTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c47-31-35-29-43-44(30-36(35)32-48)50-46(34-23-27-42(28-24-34)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40)45(49-43)33-21-25-41(26-22-33)51(37-13-5-1-6-14-37)38-15-7-2-8-16-38/h1-30H.
What are the key properties of 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile?
2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile has a molecular weight of 666.79 g/mol, XLogP of 11.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile is sourced from PubChem (CID 156781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).