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

C84H85N11O4 — CID 58803552

IUPAC1-[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
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc(N(c3ccccc3)c3ccc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)c1
InChIInChI=1S/C84H85N11O4/c1-5-89(6-2)79-54-48-68(60-87-94(75-36-22-12-23-37-75)76-38-24-13-25-39-76)83(56-79)98-64-81(96)62-91(70-30-16-9-17-31-70)85-58-66-44-50-73(51-45-66)93(72-34-20-11-21-35-72)74-52-46-67(47-53-74)59-86-92(71-32-18-10-19-33-71)63-82(97)65-99-84-57-80(90(7-3)8-4)55-49-69(84)61-88-95(77-40-26-14-27-41-77)78-42-28-15-29-43-78/h9-61,81-82,96-97H,5-8,62-65H2,1-4H3/b85-58+,86-59+,87-60+,88-61+
InChIKeyATXHFBMSKPAMAX-BTDXVRJKSA-N
MW1312.68 g/mol
LogP17.75
Rot. Bonds33

About 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

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 (PubChem CID 58803552) has the molecular formula C84H85N11O4 and a molecular weight of 1312.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID58803552
Molecular FormulaC84H85N11O4
Molecular Weight1312.68 g/mol
Exact Mass1311.68
IUPAC Name1-[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
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc(N(c3ccccc3)c3ccc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)c1
InChIInChI=1S/C84H85N11O4/c1-5-89(6-2)79-54-48-68(60-87-94(75-36-22-12-23-37-75)76-38-24-13-25-39-76)83(56-79)98-64-81(96)62-91(70-30-16-9-17-31-70)85-58-66-44-50-73(51-45-66)93(72-34-20-11-21-35-72)74-52-46-67(47-53-74)59-86-92(71-32-18-10-19-33-71)63-82(97)65-99-84-57-80(90(7-3)8-4)55-49-69(84)61-88-95(77-40-26-14-27-41-77)78-42-28-15-29-43-78/h9-61,81-82,96-97H,5-8,62-65H2,1-4H3/b85-58+,86-59+,87-60+,88-61+
InChIKeyATXHFBMSKPAMAX-BTDXVRJKSA-N
XLogP17.75
TPSA131.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.68
LogP ≤ 517.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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-(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 with MolForge

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Related Compounds

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
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
1-(7-methylnaphthalen-2-yl)oxy-3-(N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)propan-2-ol
CID 71172358
[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate
CID 58596541
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-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[2-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 12023189
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-[(E)-[4-(N-[4-[(E)-[2-hydroxypropyl(phenyl)hydrazinylidene]methyl]phenyl]anilino)phenyl]methylideneamino]anilino)-3-(3-methylsulfanylphenyl)sulfanylpropan-2-ol
CID 59809406
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 12023188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc(N(c3ccccc3)c3ccc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is ATXHFBMSKPAMAX-BTDXVRJKSA-N. The full InChI is InChI=1S/C84H85N11O4/c1-5-89(6-2)79-54-48-68(60-87-94(75-36-22-12-23-37-75)76-38-24-13-25-39-76)83(56-79)98-64-81(96)62-91(70-30-16-9-17-31-70)85-58-66-44-50-73(51-45-66)93(72-34-20-11-21-35-72)74-52-46-67(47-53-74)59-86-92(71-32-18-10-19-33-71)63-82(97)65-99-84-57-80(90(7-3)8-4)55-49-69(84)61-88-95(77-40-26-14-27-41-77)78-42-28-15-29-43-78/h9-61,81-82,96-97H,5-8,62-65H2,1-4H3/b85-58+,86-59+,87-60+,88-61+.
What are the key properties of 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?
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 has a molecular weight of 1312.68 g/mol, XLogP of 17.75, 33 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).