2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine

C48H38N4S3 — CID 11251278

IUPAC2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccc(Sc4ccc(Sc5cc(Nc6ccccc6)ccc5Nc5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C48H38N4S3/c1-5-13-35(14-6-1)49-39-21-31-45(51-37-17-9-3-10-18-37)47(33-39)54-43-27-23-41(24-28-43)53-42-25-29-44(30-26-42)55-48-34-40(50-36-15-7-2-8-16-36)22-32-46(48)52-38-19-11-4-12-20-38/h1-34,49-52H
InChIKeyIWGITNUFMIJJFO-UHFFFAOYSA-N
MW767.06 g/mol
LogP15.11
Rot. Bonds14

About 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine

2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 11251278) has the molecular formula C48H38N4S3 and a molecular weight of 767.06 g/mol. Its IUPAC name is 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID11251278
Molecular FormulaC48H38N4S3
Molecular Weight767.06 g/mol
Exact Mass766.23
IUPAC Name2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccc(Sc4ccc(Sc5cc(Nc6ccccc6)ccc5Nc5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C48H38N4S3/c1-5-13-35(14-6-1)49-39-21-31-45(51-37-17-9-3-10-18-37)47(33-39)54-43-27-23-41(24-28-43)53-42-25-29-44(30-26-42)55-48-34-40(50-36-15-7-2-8-16-36)22-32-46(48)52-38-19-11-4-12-20-38/h1-34,49-52H
InChIKeyIWGITNUFMIJJFO-UHFFFAOYSA-N
XLogP15.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.06
LogP ≤ 515.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
2-(aminomethyl)-N-phenyl-4-phenylsulfanylaniline
CID 22136212
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
1-anilino-4-phenylsulfanylanthracene-9,10-dione
CID 154117825
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine
CID 130250062
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
N-phenyl-3,4-di(propan-2-yl)aniline
CID 139833806
azane;N-phenylaniline
CID 67074378
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2-cyclohexylsulfanyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 134879151
N-phenyl-1-phenylsulfanylnaphthalen-2-amine
CID 132556912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine (CID 11251278) is 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccc3)c(Sc3ccc(Sc4ccc(Sc5cc(Nc6ccccc6)ccc5Nc5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is IWGITNUFMIJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4S3/c1-5-13-35(14-6-1)49-39-21-31-45(51-37-17-9-3-10-18-37)47(33-39)54-43-27-23-41(24-28-43)53-42-25-29-44(30-26-42)55-48-34-40(50-36-15-7-2-8-16-36)22-32-46(48)52-38-19-11-4-12-20-38/h1-34,49-52H.
What are the key properties of 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine?
2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 767.06 g/mol, XLogP of 15.11, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 11251278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).