N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine

C36H32N2OS2 — CID 20685659

IUPACN-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(COCc3ccc(N(c4cccs4)c4cccs4)cc3)cc2)cc1
InChIInChI=1S/C36H32N2OS2/c1-27-7-15-31(16-8-27)37(32-17-9-28(2)10-18-32)33-19-11-29(12-20-33)25-39-26-30-13-21-34(22-14-30)38(35-5-3-23-40-35)36-6-4-24-41-36/h3-24H,25-26H2,1-2H3
InChIKeyASERWBTZRGNCSZ-UHFFFAOYSA-N
MW572.80 g/mol
LogP11.08
Rot. Bonds10

About N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine

N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine (PubChem CID 20685659) has the molecular formula C36H32N2OS2 and a molecular weight of 572.80 g/mol. Its IUPAC name is N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine
PubChem CID20685659
Molecular FormulaC36H32N2OS2
Molecular Weight572.80 g/mol
Exact Mass572.20
IUPAC NameN-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(COCc3ccc(N(c4cccs4)c4cccs4)cc3)cc2)cc1
InChIInChI=1S/C36H32N2OS2/c1-27-7-15-31(16-8-27)37(32-17-9-28(2)10-18-32)33-19-11-29(12-20-33)25-39-26-30-13-21-34(22-14-30)38(35-5-3-23-40-35)36-6-4-24-41-36/h3-24H,25-26H2,1-2H3
InChIKeyASERWBTZRGNCSZ-UHFFFAOYSA-N
XLogP11.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.80
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine?
The IUPAC name of N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine (CID 20685659) is N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine.
What is the SMILES notation for N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine?
The canonical SMILES for N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(COCc3ccc(N(c4cccs4)c4cccs4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine?
The InChIKey is ASERWBTZRGNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2OS2/c1-27-7-15-31(16-8-27)37(32-17-9-28(2)10-18-32)33-19-11-29(12-20-33)25-39-26-30-13-21-34(22-14-30)38(35-5-3-23-40-35)36-6-4-24-41-36/h3-24H,25-26H2,1-2H3.
What are the key properties of N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine?
N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine has a molecular weight of 572.80 g/mol, XLogP of 11.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methoxymethyl]phenyl]-N-thiophen-2-ylthiophen-2-amine is sourced from PubChem (CID 20685659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).