3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide

C40H36N2O4S — CID 66847894

IUPAC3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1.Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O2.C4H8O2S/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;5-7(6)3-1-2-4-7/h1-26,39-40H;1-4H2
InChIKeyQCHPNOVBHZVTAQ-UHFFFAOYSA-N
MW640.81 g/mol
LogP9.90
Rot. Bonds7

About 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide

3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide (PubChem CID 66847894) has the molecular formula C40H36N2O4S and a molecular weight of 640.81 g/mol. Its IUPAC name is 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide
PubChem CID66847894
Molecular FormulaC40H36N2O4S
Molecular Weight640.81 g/mol
Exact Mass640.24
IUPAC Name3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1.Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O2.C4H8O2S/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;5-7(6)3-1-2-4-7/h1-26,39-40H;1-4H2
InChIKeyQCHPNOVBHZVTAQ-UHFFFAOYSA-N
XLogP9.90
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.81
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
2-(2-hydroxyethoxy)ethanol;3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol
CID 67803503
3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
CID 66649452
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
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
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-[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
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446

Frequently Asked Questions

What is the IUPAC name of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide?
The IUPAC name of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide (CID 66847894) is 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide.
What is the SMILES notation for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide?
The canonical SMILES for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide is O=S1(=O)CCCC1.Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(O)c4)cc3)cc2)c1.
What is the InChIKey of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide?
The InChIKey is QCHPNOVBHZVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O2.C4H8O2S/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;5-7(6)3-1-2-4-7/h1-26,39-40H;1-4H2.
What are the key properties of 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide?
3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide has a molecular weight of 640.81 g/mol, XLogP of 9.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide is sourced from PubChem (CID 66847894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).