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

C70H79N11O4 — CID 58803551

IUPAC1-[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
SMILESCCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc3c(c2)c2cc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(C)c4ccccc4)c4ccccc4)ccc2n3CC)c2ccccc2)c1
InChIInChI=1S/C70H79N11O4/c1-8-77(9-2)61-37-35-55(47-71-75(6)57-25-17-13-18-26-57)69(43-61)84-51-63(82)49-80(59-29-21-15-22-30-59)73-45-53-33-39-67-65(41-53)66-42-54(34-40-68(66)79(67)12-5)46-74-81(60-31-23-16-24-32-60)50-64(83)52-85-70-44-62(78(10-3)11-4)38-36-56(70)48-72-76(7)58-27-19-14-20-28-58/h13-48,63-64,82-83H,8-12,49-52H2,1-7H3/b71-47+,72-48+,73-45+,74-46+
InChIKeyCNBISVMJHOZAGG-HVKGWJAOSA-N
MW1138.47 g/mol
LogP13.01
Rot. Bonds29

About 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

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 (PubChem CID 58803551) has the molecular formula C70H79N11O4 and a molecular weight of 1138.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID58803551
Molecular FormulaC70H79N11O4
Molecular Weight1138.47 g/mol
Exact Mass1137.63
IUPAC Name1-[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
SMILESCCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc3c(c2)c2cc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(C)c4ccccc4)c4ccccc4)ccc2n3CC)c2ccccc2)c1
InChIInChI=1S/C70H79N11O4/c1-8-77(9-2)61-37-35-55(47-71-75(6)57-25-17-13-18-26-57)69(43-61)84-51-63(82)49-80(59-29-21-15-22-30-59)73-45-53-33-39-67-65(41-53)66-42-54(34-40-68(66)79(67)12-5)46-74-81(60-31-23-16-24-32-60)50-64(83)52-85-70-44-62(78(10-3)11-4)38-36-56(70)48-72-76(7)58-27-19-14-20-28-58/h13-48,63-64,82-83H,8-12,49-52H2,1-7H3/b71-47+,72-48+,73-45+,74-46+
InChIKeyCNBISVMJHOZAGG-HVKGWJAOSA-N
XLogP13.01
TPSA132.73 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001138.47
LogP ≤ 513.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(OCC(O)CN(/N=C/c2ccc3c(c2)c2cc(/C=N/N(CC(O)COc4cc(N(CC)CC)ccc4/C=N/N(C)c4ccccc4)c4ccccc4)ccc2n3CC)c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is CNBISVMJHOZAGG-HVKGWJAOSA-N. The full InChI is InChI=1S/C70H79N11O4/c1-8-77(9-2)61-37-35-55(47-71-75(6)57-25-17-13-18-26-57)69(43-61)84-51-63(82)49-80(59-29-21-15-22-30-59)73-45-53-33-39-67-65(41-53)66-42-54(34-40-68(66)79(67)12-5)46-74-81(60-31-23-16-24-32-60)50-64(83)52-85-70-44-62(78(10-3)11-4)38-36-56(70)48-72-76(7)58-27-19-14-20-28-58/h13-48,63-64,82-83H,8-12,49-52H2,1-7H3/b71-47+,72-48+,73-45+,74-46+.
What are the key properties of 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?
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 has a molecular weight of 1138.47 g/mol, XLogP of 13.01, 29 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)-[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 is sourced from PubChem (CID 58803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).