N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline

C44H32N4 — CID 70898532

IUPACN-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H32N4/c1-4-12-34(13-5-1)43-44(47-42-19-11-10-18-41(42)46-43)35-24-30-40(31-25-35)48(38-16-8-3-9-17-38)39-28-22-33(23-29-39)32-20-26-37(27-21-32)45-36-14-6-2-7-15-36/h1-31,45H
InChIKeyDSTVSMDPWYJNIK-UHFFFAOYSA-N
MW616.77 g/mol
LogP11.84
Rot. Bonds8

About N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline

N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline (PubChem CID 70898532) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
PubChem CID70898532
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC NameN-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H32N4/c1-4-12-34(13-5-1)43-44(47-42-19-11-10-18-41(42)46-43)35-24-30-40(31-25-35)48(38-16-8-3-9-17-38)39-28-22-33(23-29-39)32-20-26-37(27-21-32)45-36-14-6-2-7-15-36/h1-31,45H
InChIKeyDSTVSMDPWYJNIK-UHFFFAOYSA-N
XLogP11.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 511.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
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
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
CID 59259894
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
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
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597
2,3-bis(4-bromophenyl)pyrazine;4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pyrazin-2-yl]phenyl]aniline
CID 158301345
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline?
The IUPAC name of N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline (CID 70898532) is N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline?
The canonical SMILES for N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline is c1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline?
The InChIKey is DSTVSMDPWYJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4/c1-4-12-34(13-5-1)43-44(47-42-19-11-10-18-41(42)46-43)35-24-30-40(31-25-35)48(38-16-8-3-9-17-38)39-28-22-33(23-29-39)32-20-26-37(27-21-32)45-36-14-6-2-7-15-36/h1-31,45H.
What are the key properties of N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline?
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline has a molecular weight of 616.77 g/mol, XLogP of 11.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 70898532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).