1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol

C64H68N6O4S3 — CID 58759207

IUPAC1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C64H68N6O4S3/c1-5-67(6-2)55-31-29-49(43-65-69(51-21-13-9-14-22-51)52-23-15-10-16-24-52)63(41-55)73-45-57(71)47-75-59-33-37-61(38-34-59)77-62-39-35-60(36-40-62)76-48-58(72)46-74-64-42-56(68(7-3)8-4)32-30-50(64)44-66-70(53-25-17-11-18-26-53)54-27-19-12-20-28-54/h9-44,57-58,71-72H,5-8,45-48H2,1-4H3/b65-43+,66-44+
InChIKeyQFTAPMCGKIPNTR-PIEUCTMVSA-N
MW1081.49 g/mol
LogP14.94
Rot. Bonds28

About 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol

1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol (PubChem CID 58759207) has the molecular formula C64H68N6O4S3 and a molecular weight of 1081.49 g/mol. Its IUPAC name is 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
PubChem CID58759207
Molecular FormulaC64H68N6O4S3
Molecular Weight1081.49 g/mol
Exact Mass1080.45
IUPAC Name1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C64H68N6O4S3/c1-5-67(6-2)55-31-29-49(43-65-69(51-21-13-9-14-22-51)52-23-15-10-16-24-52)63(41-55)73-45-57(71)47-75-59-33-37-61(38-34-59)77-62-39-35-60(36-40-62)76-48-58(72)46-74-64-42-56(68(7-3)8-4)32-30-50(64)44-66-70(53-25-17-11-18-26-53)54-27-19-12-20-28-54/h9-44,57-58,71-72H,5-8,45-48H2,1-4H3/b65-43+,66-44+
InChIKeyQFTAPMCGKIPNTR-PIEUCTMVSA-N
XLogP14.94
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.49
LogP ≤ 514.94
H-Bond Donors ≤ 52
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'}

Analyze 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol with MolForge

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Related Compounds

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
1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[[5-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 21058903
[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate
CID 58596541
1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-(N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]anilino)propan-2-ol;1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)propan-2-ol;1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-(N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 172936208
1-[5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenoxy]-3-(N-[(E)-[6-[(E)-[[3-[5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenoxy]-2-hydroxypropyl]-phenylhydrazinylidene]methyl]-9-ethylcarbazol-3-yl]methylideneamino]anilino)propan-2-ol
CID 58803551
N-[[2-bromo-4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine
CID 57356469
1-[5-(diethylamino)-2-[(E)-[(E)-(9-ethylcarbazol-3-yl)methylidenehydrazinylidene]methyl]phenoxy]-3-[[5-[3-[5-(diethylamino)-2-[(E)-[(E)-(9-ethylcarbazol-4-yl)methylidenehydrazinylidene]methyl]phenoxy]-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 58819162
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
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
(Z)-2,3-bis[[4-(diethylamino)-2-propoxyphenyl]methylideneamino]but-2-enedinitrile
CID 177444373
1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
CID 56971548
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol (CID 58759207) is 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol is CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CSc2ccc(Sc3ccc(SCC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
The InChIKey is QFTAPMCGKIPNTR-PIEUCTMVSA-N. The full InChI is InChI=1S/C64H68N6O4S3/c1-5-67(6-2)55-31-29-49(43-65-69(51-21-13-9-14-22-51)52-23-15-10-16-24-52)63(41-55)73-45-57(71)47-75-59-33-37-61(38-34-59)77-62-39-35-60(36-40-62)76-48-58(72)46-74-64-42-56(68(7-3)8-4)32-30-50(64)44-66-70(53-25-17-11-18-26-53)54-27-19-12-20-28-54/h9-44,57-58,71-72H,5-8,45-48H2,1-4H3/b65-43+,66-44+.
What are the key properties of 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol?
1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol has a molecular weight of 1081.49 g/mol, XLogP of 14.94, 28 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-3-[4-[4-[3-[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenoxy]-2-hydroxypropyl]sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 58759207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).