1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine

C60H46N4S2 — CID 170220363

IUPAC1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
SMILESNN(c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C60H46N4S2/c61-64(47-41-37-45(38-42-47)62-53-29-13-17-33-57(53)65(49-21-5-1-6-22-49,50-23-7-2-8-24-50)58-34-18-14-30-54(58)62)48-43-39-46(40-44-48)63-55-31-15-19-35-59(55)66(51-25-9-3-10-26-51,52-27-11-4-12-28-52)60-36-20-16-32-56(60)63/h1-44H,61H2
InChIKeyNEPFTKNUHUMLHX-UHFFFAOYSA-N
MW887.19 g/mol
LogP16.95
Rot. Bonds8

About 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine

1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine (PubChem CID 170220363) has the molecular formula C60H46N4S2 and a molecular weight of 887.19 g/mol. Its IUPAC name is 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine.

Molecular Properties

Compound Name1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
PubChem CID170220363
Molecular FormulaC60H46N4S2
Molecular Weight887.19 g/mol
Exact Mass886.32
IUPAC Name1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
SMILESNN(c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C60H46N4S2/c61-64(47-41-37-45(38-42-47)62-53-29-13-17-33-57(53)65(49-21-5-1-6-22-49,50-23-7-2-8-24-50)58-34-18-14-30-54(58)62)48-43-39-46(40-44-48)63-55-31-15-19-35-59(55)66(51-25-9-3-10-26-51,52-27-11-4-12-28-52)60-36-20-16-32-56(60)63/h1-44H,61H2
InChIKeyNEPFTKNUHUMLHX-UHFFFAOYSA-N
XLogP16.95
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.19
LogP ≤ 516.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine?
The IUPAC name of 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine (CID 170220363) is 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine.
What is the SMILES notation for 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine?
The canonical SMILES for 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine is NN(c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3S(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine?
The InChIKey is NEPFTKNUHUMLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4S2/c61-64(47-41-37-45(38-42-47)62-53-29-13-17-33-57(53)65(49-21-5-1-6-22-49,50-23-7-2-8-24-50)58-34-18-14-30-54(58)62)48-43-39-46(40-44-48)63-55-31-15-19-35-59(55)66(51-25-9-3-10-26-51,52-27-11-4-12-28-52)60-36-20-16-32-56(60)63/h1-44H,61H2.
What are the key properties of 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine?
1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine has a molecular weight of 887.19 g/mol, XLogP of 16.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine is sourced from PubChem (CID 170220363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).