3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile

C42H28N6 — CID 140915776

IUPAC3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H28N6/c43-29-39-41(31-21-25-37(26-22-31)47(33-13-5-1-6-14-33)34-15-7-2-8-16-34)45-40(30-44)42(46-39)32-23-27-38(28-24-32)48(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H
InChIKeyWLNKPUXAOGKLNP-UHFFFAOYSA-N
MW616.73 g/mol
LogP10.49
Rot. Bonds8

About 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile

3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile (PubChem CID 140915776) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
PubChem CID140915776
Molecular FormulaC42H28N6
Molecular Weight616.73 g/mol
Exact Mass616.24
IUPAC Name3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H28N6/c43-29-39-41(31-21-25-37(26-22-31)47(33-13-5-1-6-14-33)34-15-7-2-8-16-34)45-40(30-44)42(46-39)32-23-27-38(28-24-32)48(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H
InChIKeyWLNKPUXAOGKLNP-UHFFFAOYSA-N
XLogP10.49
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
CID 156781139
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
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
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,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile (CID 140915776) is 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile is N#Cc1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile?
The InChIKey is WLNKPUXAOGKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6/c43-29-39-41(31-21-25-37(26-22-31)47(33-13-5-1-6-14-33)34-15-7-2-8-16-34)45-40(30-44)42(46-39)32-23-27-38(28-24-32)48(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H.
What are the key properties of 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile?
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile has a molecular weight of 616.73 g/mol, XLogP of 10.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 140915776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).