2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol

C33H28N2O2 — CID 68655466

IUPAC2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol
SMILESOC1/C(=N/C[C@H](Cc2ccc3ccccc3c2)/N=C2\C=Cc3ccccc3C2O)C=Cc2ccccc21
InChIInChI=1S/C33H28N2O2/c36-32-28-11-5-3-8-24(28)15-17-30(32)34-21-27(20-22-13-14-23-7-1-2-10-26(23)19-22)35-31-18-16-25-9-4-6-12-29(25)33(31)37/h1-19,27,32-33,36-37H,20-21H2/b34-30+,35-31+/t27-,32?,33?/m0/s1
InChIKeyWDEUNACYGOFDFT-BVNBWOLVSA-N
MW484.60 g/mol
LogP6.15
Rot. Bonds5

About 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol

2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol (PubChem CID 68655466) has the molecular formula C33H28N2O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol.

Molecular Properties

Compound Name2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol
PubChem CID68655466
Molecular FormulaC33H28N2O2
Molecular Weight484.60 g/mol
Exact Mass484.22
IUPAC Name2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol
SMILESOC1/C(=N/C[C@H](Cc2ccc3ccccc3c2)/N=C2\C=Cc3ccccc3C2O)C=Cc2ccccc21
InChIInChI=1S/C33H28N2O2/c36-32-28-11-5-3-8-24(28)15-17-30(32)34-21-27(20-22-13-14-23-7-1-2-10-26(23)19-22)35-31-18-16-25-9-4-6-12-29(25)33(31)37/h1-19,27,32-33,36-37H,20-21H2/b34-30+,35-31+/t27-,32?,33?/m0/s1
InChIKeyWDEUNACYGOFDFT-BVNBWOLVSA-N
XLogP6.15
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol?
The IUPAC name of 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol (CID 68655466) is 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol.
What is the SMILES notation for 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol?
The canonical SMILES for 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol is OC1/C(=N/C[C@H](Cc2ccc3ccccc3c2)/N=C2\C=Cc3ccccc3C2O)C=Cc2ccccc21.
What is the InChIKey of 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol?
The InChIKey is WDEUNACYGOFDFT-BVNBWOLVSA-N. The full InChI is InChI=1S/C33H28N2O2/c36-32-28-11-5-3-8-24(28)15-17-30(32)34-21-27(20-22-13-14-23-7-1-2-10-26(23)19-22)35-31-18-16-25-9-4-6-12-29(25)33(31)37/h1-19,27,32-33,36-37H,20-21H2/b34-30+,35-31+/t27-,32?,33?/m0/s1.
What are the key properties of 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol?
2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol has a molecular weight of 484.60 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(1-hydroxy-1H-naphthalen-2-ylidene)amino]-3-naphthalen-2-ylpropyl]imino-1H-naphthalen-1-ol is sourced from PubChem (CID 68655466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).