1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol

C48H48N6O2S — CID 59653627

IUPAC1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
SMILESCCn1c2ccccc2c2cc(/C=N/N(CC(O)CSCC(O)CN(/N=C/c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C48H48N6O2S/c1-3-51-45-21-13-11-19-41(45)43-27-35(23-25-47(43)51)29-49-53(37-15-7-5-8-16-37)31-39(55)33-57-34-40(56)32-54(38-17-9-6-10-18-38)50-30-36-24-26-48-44(28-36)42-20-12-14-22-46(42)52(48)4-2/h5-30,39-40,55-56H,3-4,31-34H2,1-2H3/b49-29+,50-30+
InChIKeyFHAFTSHXYUXSPH-ZAPDOKAZSA-N
MW773.02 g/mol
LogP9.78
Rot. Bonds16

About 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol

1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol (PubChem CID 59653627) has the molecular formula C48H48N6O2S and a molecular weight of 773.02 g/mol. Its IUPAC name is 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
PubChem CID59653627
Molecular FormulaC48H48N6O2S
Molecular Weight773.02 g/mol
Exact Mass772.36
IUPAC Name1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
SMILESCCn1c2ccccc2c2cc(/C=N/N(CC(O)CSCC(O)CN(/N=C/c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C48H48N6O2S/c1-3-51-45-21-13-11-19-41(45)43-27-35(23-25-47(43)51)29-49-53(37-15-7-5-8-16-37)31-39(55)33-57-34-40(56)32-54(38-17-9-6-10-18-38)50-30-36-24-26-48-44(28-36)42-20-12-14-22-46(42)52(48)4-2/h5-30,39-40,55-56H,3-4,31-34H2,1-2H3/b49-29+,50-30+
InChIKeyFHAFTSHXYUXSPH-ZAPDOKAZSA-N
XLogP9.78
TPSA81.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.02
LogP ≤ 59.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol?
The IUPAC name of 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) is 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol is CCn1c2ccccc2c2cc(/C=N/N(CC(O)CSCC(O)CN(/N=C/c3ccc4c(c3)c3ccccc3n4CC)c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol?
The InChIKey is FHAFTSHXYUXSPH-ZAPDOKAZSA-N. The full InChI is InChI=1S/C48H48N6O2S/c1-3-51-45-21-13-11-19-41(45)43-27-35(23-25-47(43)51)29-49-53(37-15-7-5-8-16-37)31-39(55)33-57-34-40(56)32-54(38-17-9-6-10-18-38)50-30-36-24-26-48-44(28-36)42-20-12-14-22-46(42)52(48)4-2/h5-30,39-40,55-56H,3-4,31-34H2,1-2H3/b49-29+,50-30+.
What are the key properties of 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol?
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol has a molecular weight of 773.02 g/mol, XLogP of 9.78, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol is sourced from PubChem (CID 59653627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).