3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol

C33H29NS — CID 164745626

IUPAC3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol
SMILESSCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C33H29NS/c35-25-7-8-26-13-19-31(20-14-26)34(32-21-15-29(16-22-32)27-9-3-1-4-10-27)33-23-17-30(18-24-33)28-11-5-2-6-12-28/h1-6,9-24,35H,7-8,25H2
InChIKeyYKNHKGKDSSZBJA-UHFFFAOYSA-N
MW471.67 g/mol
LogP9.35
Rot. Bonds8

About 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol

3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol (PubChem CID 164745626) has the molecular formula C33H29NS and a molecular weight of 471.67 g/mol. Its IUPAC name is 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol.

Molecular Properties

Compound Name3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol
PubChem CID164745626
Molecular FormulaC33H29NS
Molecular Weight471.67 g/mol
Exact Mass471.20
IUPAC Name3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol
SMILESSCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C33H29NS/c35-25-7-8-26-13-19-31(20-14-26)34(32-21-15-29(16-22-32)27-9-3-1-4-10-27)33-23-17-30(18-24-33)28-11-5-2-6-12-28/h1-6,9-24,35H,7-8,25H2
InChIKeyYKNHKGKDSSZBJA-UHFFFAOYSA-N
XLogP9.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 59.35
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

3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]propane-1-thiol
CID 164745606
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
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
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
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
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol?
The IUPAC name of 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol (CID 164745626) is 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol.
What is the SMILES notation for 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol?
The canonical SMILES for 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol is SCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol?
The InChIKey is YKNHKGKDSSZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NS/c35-25-7-8-26-13-19-31(20-14-26)34(32-21-15-29(16-22-32)27-9-3-1-4-10-27)33-23-17-30(18-24-33)28-11-5-2-6-12-28/h1-6,9-24,35H,7-8,25H2.
What are the key properties of 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol?
3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol has a molecular weight of 471.67 g/mol, XLogP of 9.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol is sourced from PubChem (CID 164745626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).