1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine

C24H20N2S — CID 12035327

IUPAC1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccccc3)c2)cc1
InChIInChI=1S/C24H20N2S/c1-4-10-19(11-5-1)25-21-16-17-23(26-20-12-6-2-7-13-20)24(18-21)27-22-14-8-3-9-15-22/h1-18,25-26H
InChIKeyMNKOKDNWYJOKAE-UHFFFAOYSA-N
MW368.51 g/mol
LogP7.32
Rot. Bonds6

About 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine

1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine (PubChem CID 12035327) has the molecular formula C24H20N2S and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
PubChem CID12035327
Molecular FormulaC24H20N2S
Molecular Weight368.51 g/mol
Exact Mass368.13
IUPAC Name1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccccc3)c2)cc1
InChIInChI=1S/C24H20N2S/c1-4-10-19(11-5-1)25-21-16-17-23(26-20-12-6-2-7-13-20)24(18-21)27-22-14-8-3-9-15-22/h1-18,25-26H
InChIKeyMNKOKDNWYJOKAE-UHFFFAOYSA-N
XLogP7.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine (CID 12035327) is 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccccc3)c2)cc1.
What is the InChIKey of 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine?
The InChIKey is MNKOKDNWYJOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S/c1-4-10-19(11-5-1)25-21-16-17-23(26-20-12-6-2-7-13-20)24(18-21)27-22-14-8-3-9-15-22/h1-18,25-26H.
What are the key properties of 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine?
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine has a molecular weight of 368.51 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine is sourced from PubChem (CID 12035327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).