4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline

C57H45N7O6S3 — CID 177485255

IUPAC4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(N/N=C/c2ccc(N(c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H45N7O6S3/c65-71(66,52-10-4-1-5-11-52)55-34-22-46(23-35-55)61-58-40-43-16-28-49(29-17-43)64(50-30-18-44(19-31-50)41-59-62-47-24-36-56(37-25-47)72(67,68)53-12-6-2-7-13-53)51-32-20-45(21-33-51)42-60-63-48-26-38-57(39-27-48)73(69,70)54-14-8-3-9-15-54/h1-42,61-63H/b58-40+,59-41+,60-42+
InChIKeyOFIZUWMBOXBVJM-BTFKFKKVSA-N
MW1020.23 g/mol
LogP11.99
Rot. Bonds18

About 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline

4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline (PubChem CID 177485255) has the molecular formula C57H45N7O6S3 and a molecular weight of 1020.23 g/mol. Its IUPAC name is 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
PubChem CID177485255
Molecular FormulaC57H45N7O6S3
Molecular Weight1020.23 g/mol
Exact Mass1019.26
IUPAC Name4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(N/N=C/c2ccc(N(c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H45N7O6S3/c65-71(66,52-10-4-1-5-11-52)55-34-22-46(23-35-55)61-58-40-43-16-28-49(29-17-43)64(50-30-18-44(19-31-50)41-59-62-47-24-36-56(37-25-47)72(67,68)53-12-6-2-7-13-53)51-32-20-45(21-33-51)42-60-63-48-26-38-57(39-27-48)73(69,70)54-14-8-3-9-15-54/h1-42,61-63H/b58-40+,59-41+,60-42+
InChIKeyOFIZUWMBOXBVJM-BTFKFKKVSA-N
XLogP11.99
TPSA178.83 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.23
LogP ≤ 511.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
N,N-diphenyl-4-[(E)-2-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]sulfonylphenyl]ethenyl]aniline
CID 102299060
4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate
CID 3667454
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
CID 3290055
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
4-[(2E)-2-[[4-(5,7,12,14-tetraoxo-13-phenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)phenyl]methylidene]hydrazinyl]benzenesulfonate
CID 45253905
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 26012790
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-phenyl-4-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 154979781
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline?
The IUPAC name of 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline (CID 177485255) is 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline is O=S(=O)(c1ccccc1)c1ccc(N/N=C/c2ccc(N(c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)c3ccc(/C=N/Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline?
The InChIKey is OFIZUWMBOXBVJM-BTFKFKKVSA-N. The full InChI is InChI=1S/C57H45N7O6S3/c65-71(66,52-10-4-1-5-11-52)55-34-22-46(23-35-55)61-58-40-43-16-28-49(29-17-43)64(50-30-18-44(19-31-50)41-59-62-47-24-36-56(37-25-47)72(67,68)53-12-6-2-7-13-53)51-32-20-45(21-33-51)42-60-63-48-26-38-57(39-27-48)73(69,70)54-14-8-3-9-15-54/h1-42,61-63H/b58-40+,59-41+,60-42+.
What are the key properties of 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline?
4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline has a molecular weight of 1020.23 g/mol, XLogP of 11.99, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline is sourced from PubChem (CID 177485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).