N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline

C44H32N4 — CID 102293177

IUPACN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C44H32N4/c1-5-13-35(14-6-1)47(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-30-42(44-43(41)45-31-32-46-44)34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQTISOFFLDNUSBR-UHFFFAOYSA-N
MW616.77 g/mol
LogP11.90
Rot. Bonds8

About N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline

N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline (PubChem CID 102293177) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline
PubChem CID102293177
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C44H32N4/c1-5-13-35(14-6-1)47(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-30-42(44-43(41)45-31-32-46-44)34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQTISOFFLDNUSBR-UHFFFAOYSA-N
XLogP11.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988979
4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N-phenylaniline
CID 122234035
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
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988982
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
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline (CID 102293177) is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline?
The InChIKey is QTISOFFLDNUSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-35(14-6-1)47(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-30-42(44-43(41)45-31-32-46-44)34-23-27-40(28-24-34)48(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H.
What are the key properties of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline?
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline has a molecular weight of 616.77 g/mol, XLogP of 11.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline is sourced from PubChem (CID 102293177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).