4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol

C30H23NS — CID 143963657

IUPAC4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol
SMILESSc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23NS/c32-30-21-15-26(16-22-30)25-13-19-29(20-14-25)31(27-9-5-2-6-10-27)28-17-11-24(12-18-28)23-7-3-1-4-8-23/h1-22,32H
InChIKeyABIKGUYMWQYQIY-UHFFFAOYSA-N
MW429.59 g/mol
LogP8.78
Rot. Bonds5

About 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol

4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol (PubChem CID 143963657) has the molecular formula C30H23NS and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol.

Molecular Properties

Compound Name4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol
PubChem CID143963657
Molecular FormulaC30H23NS
Molecular Weight429.59 g/mol
Exact Mass429.16
IUPAC Name4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol
SMILESSc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23NS/c32-30-21-15-26(16-22-30)25-13-19-29(20-14-25)31(27-9-5-2-6-10-27)28-17-11-24(12-18-28)23-7-3-1-4-8-23/h1-22,32H
InChIKeyABIKGUYMWQYQIY-UHFFFAOYSA-N
XLogP8.78
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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,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-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
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-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
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,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
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
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol?
The IUPAC name of 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol (CID 143963657) is 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol.
What is the SMILES notation for 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol?
The canonical SMILES for 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol is Sc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol?
The InChIKey is ABIKGUYMWQYQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NS/c32-30-21-15-26(16-22-30)25-13-19-29(20-14-25)31(27-9-5-2-6-10-27)28-17-11-24(12-18-28)23-7-3-1-4-8-23/h1-22,32H.
What are the key properties of 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol?
4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol has a molecular weight of 429.59 g/mol, XLogP of 8.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(4-phenylphenyl)anilino)phenyl]benzenethiol is sourced from PubChem (CID 143963657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).