N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine

C32H24N4 — CID 174522188

IUPACN-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C32H24N4/c1-3-11-25(12-4-1)36(26-13-5-2-6-14-26)27-21-19-24(20-22-27)28-15-7-8-16-29(28)34-32-23-33-30-17-9-10-18-31(30)35-32/h1-23H,(H,34,35)
InChIKeyLQOBHTPYMFVRAF-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.51
Rot. Bonds6

About N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine

N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine (PubChem CID 174522188) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine
PubChem CID174522188
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC NameN-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C32H24N4/c1-3-11-25(12-4-1)36(26-13-5-2-6-14-26)27-21-19-24(20-22-27)28-15-7-8-16-29(28)34-32-23-33-30-17-9-10-18-31(30)35-32/h1-23H,(H,34,35)
InChIKeyLQOBHTPYMFVRAF-UHFFFAOYSA-N
XLogP8.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
CID 59259894
2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
CID 87842525
5-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3,5-triamine
CID 164833179
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,N-diphenyl-4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]aniline
CID 21357053
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
CID 70898532
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine?
The IUPAC name of N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine (CID 174522188) is N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3Nc3cnc4ccccc4n3)cc2)cc1.
What is the InChIKey of N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine?
The InChIKey is LQOBHTPYMFVRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4/c1-3-11-25(12-4-1)36(26-13-5-2-6-14-26)27-21-19-24(20-22-27)28-15-7-8-16-29(28)34-32-23-33-30-17-9-10-18-31(30)35-32/h1-23H,(H,34,35).
What are the key properties of N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine?
N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine has a molecular weight of 464.57 g/mol, XLogP of 8.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine is sourced from PubChem (CID 174522188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).