ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline

C37H35NS — CID 145442322

IUPACethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
SMILESCC.CS.c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H25N.C2H6.CH4S/c1-3-10-25(11-4-1)29-20-23-34(33(24-29)27-12-5-2-6-13-27)35-30-21-18-28(19-22-30)32-17-9-15-26-14-7-8-16-31(26)32;2*1-2/h1-24,35H;1-2H3;2H,1H3
InChIKeyFDRSLWGWMJLZKR-UHFFFAOYSA-N
MW525.76 g/mol
LogP11.16
Rot. Bonds5

About ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline

ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline (PubChem CID 145442322) has the molecular formula C37H35NS and a molecular weight of 525.76 g/mol. Its IUPAC name is ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline.

Molecular Properties

Compound Nameethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
PubChem CID145442322
Molecular FormulaC37H35NS
Molecular Weight525.76 g/mol
Exact Mass525.25
IUPAC Nameethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
SMILESCC.CS.c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H25N.C2H6.CH4S/c1-3-10-25(11-4-1)29-20-23-34(33(24-29)27-12-5-2-6-13-27)35-30-21-18-28(19-22-30)32-17-9-15-26-14-7-8-16-31(26)32;2*1-2/h1-24,35H;1-2H3;2H,1H3
InChIKeyFDRSLWGWMJLZKR-UHFFFAOYSA-N
XLogP11.16
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.76
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
CID 169007083
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527

Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline?
The IUPAC name of ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline (CID 145442322) is ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline.
What is the SMILES notation for ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline?
The canonical SMILES for ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline is CC.CS.c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline?
The InChIKey is FDRSLWGWMJLZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N.C2H6.CH4S/c1-3-10-25(11-4-1)29-20-23-34(33(24-29)27-12-5-2-6-13-27)35-30-21-18-28(19-22-30)32-17-9-15-26-14-7-8-16-31(26)32;2*1-2/h1-24,35H;1-2H3;2H,1H3.
What are the key properties of ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline?
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline has a molecular weight of 525.76 g/mol, XLogP of 11.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline is sourced from PubChem (CID 145442322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).