1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol

C97H96N10O4S5 — CID 91401231

IUPAC1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol
SMILESCSc1ccc(Sc2ccc(SCC(O)CN(/N=C\c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N\N(CC(C)O)c5ccccc5)cc4)cc3)c3ccccc3)cc2)cc1.CSc1cccc(SCC(O)CN(/N=C\c2ccc(N(c3ccccc3)c3ccc(/C=N\N(CC(C)O)c4ccccc4)cc3)cc2)c2ccccc2)c1
InChIInChI=1S/C52H51N5O2S3.C45H45N5O2S2/c1-39-14-20-45(21-15-39)57(46-22-16-41(17-23-46)34-53-55(36-40(2)58)43-10-6-4-7-11-43)47-24-18-42(19-25-47)35-54-56(44-12-8-5-9-13-44)37-48(59)38-61-50-28-32-52(33-29-50)62-51-30-26-49(60-3)27-31-51;1-35(51)32-48(38-13-6-3-7-14-38)46-30-36-21-25-41(26-22-36)50(40-17-10-5-11-18-40)42-27-23-37(24-28-42)31-47-49(39-15-8-4-9-16-39)33-43(52)34-54-45-20-12-19-44(29-45)53-2/h4-35,40,48,58-59H,36-38H2,1-3H3;3-31,35,43,51-52H,32-34H2,1-2H3/b53-34-,54-35-;46-30-,47-31-
InChIKeyBIFIQZGNUAKCQO-DTSIVKAASA-N
MW1626.24 g/mol
LogP22.65
Rot. Bonds36

About 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol

1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol (PubChem CID 91401231) has the molecular formula C97H96N10O4S5 and a molecular weight of 1626.24 g/mol. Its IUPAC name is 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol
PubChem CID91401231
Molecular FormulaC97H96N10O4S5
Molecular Weight1626.24 g/mol
Exact Mass1624.62
IUPAC Name1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol
SMILESCSc1ccc(Sc2ccc(SCC(O)CN(/N=C\c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N\N(CC(C)O)c5ccccc5)cc4)cc3)c3ccccc3)cc2)cc1.CSc1cccc(SCC(O)CN(/N=C\c2ccc(N(c3ccccc3)c3ccc(/C=N\N(CC(C)O)c4ccccc4)cc3)cc2)c2ccccc2)c1
InChIInChI=1S/C52H51N5O2S3.C45H45N5O2S2/c1-39-14-20-45(21-15-39)57(46-22-16-41(17-23-46)34-53-55(36-40(2)58)43-10-6-4-7-11-43)47-24-18-42(19-25-47)35-54-56(44-12-8-5-9-13-44)37-48(59)38-61-50-28-32-52(33-29-50)62-51-30-26-49(60-3)27-31-51;1-35(51)32-48(38-13-6-3-7-14-38)46-30-36-21-25-41(26-22-36)50(40-17-10-5-11-18-40)42-27-23-37(24-28-42)31-47-49(39-15-8-4-9-16-39)33-43(52)34-54-45-20-12-19-44(29-45)53-2/h4-35,40,48,58-59H,36-38H2,1-3H3;3-31,35,43,51-52H,32-34H2,1-2H3/b53-34-,54-35-;46-30-,47-31-
InChIKeyBIFIQZGNUAKCQO-DTSIVKAASA-N
XLogP22.65
TPSA149.80 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.24
LogP ≤ 522.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol with MolForge

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Related Compounds

1-(N-[(E)-[4-(N-[4-[(E)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol
CID 59809406
1-[4-[4-[[4-[4-[2-hydroxy-3-(N-[[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanyl-3-(N-[[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 72573031
1-(N-[(Z)-[9-ethyl-6-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol
CID 91321684
1-[4-[2-hydroxy-3-(N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propyl]sulfanylbutylsulfanyl]-3-(N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 20789664
1-(7-methylnaphthalen-2-yl)oxy-3-(N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 71172358
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[4-[[4-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylphenyl]methyl]phenyl]sulfanylpropan-2-ol
CID 15509279
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 59653627
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
CID 85434701
1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-(N-[(E)-[4-(N-[4-[(E)-[[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]-phenylhydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 58803552
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
CID 6050776
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194

Frequently Asked Questions

What is the IUPAC name of 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol (CID 91401231) is 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol is CSc1ccc(Sc2ccc(SCC(O)CN(/N=C\c3ccc(N(c4ccc(C)cc4)c4ccc(/C=N\N(CC(C)O)c5ccccc5)cc4)cc3)c3ccccc3)cc2)cc1.CSc1cccc(SCC(O)CN(/N=C\c2ccc(N(c3ccccc3)c3ccc(/C=N\N(CC(C)O)c4ccccc4)cc3)cc2)c2ccccc2)c1.
What is the InChIKey of 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol?
The InChIKey is BIFIQZGNUAKCQO-DTSIVKAASA-N. The full InChI is InChI=1S/C52H51N5O2S3.C45H45N5O2S2/c1-39-14-20-45(21-15-39)57(46-22-16-41(17-23-46)34-53-55(36-40(2)58)43-10-6-4-7-11-43)47-24-18-42(19-25-47)35-54-56(44-12-8-5-9-13-44)37-48(59)38-61-50-28-32-52(33-29-50)62-51-30-26-49(60-3)27-31-51;1-35(51)32-48(38-13-6-3-7-14-38)46-30-36-21-25-41(26-22-36)50(40-17-10-5-11-18-40)42-27-23-37(24-28-42)31-47-49(39-15-8-4-9-16-39)33-43(52)34-54-45-20-12-19-44(29-45)53-2/h4-35,40,48,58-59H,36-38H2,1-3H3;3-31,35,43,51-52H,32-34H2,1-2H3/b53-34-,54-35-;46-30-,47-31-.
What are the key properties of 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol?
1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol has a molecular weight of 1626.24 g/mol, XLogP of 22.65, 36 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol;1-(N-[(Z)-[4-(N-[4-[(Z)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]-4-methylanilino)phenyl]methylideneamino]anilino)-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 91401231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).