2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol

C31H25NO — CID 72994394

IUPAC2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)C(/N=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C31H25NO/c33-31(27-18-6-2-7-19-27,28-20-8-3-9-21-28)30(25-14-4-1-5-15-25)32-23-26-17-12-16-24-13-10-11-22-29(24)26/h1-23,30,33H/b32-23+
InChIKeyDHESUXFVMRLLTC-AWSUPERCSA-N
MW427.55 g/mol
LogP6.94
Rot. Bonds6

About 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol

2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol (PubChem CID 72994394) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
PubChem CID72994394
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)C(/N=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C31H25NO/c33-31(27-18-6-2-7-19-27,28-20-8-3-9-21-28)30(25-14-4-1-5-15-25)32-23-26-17-12-16-24-13-10-11-22-29(24)26/h1-23,30,33H/b32-23+
InChIKeyDHESUXFVMRLLTC-AWSUPERCSA-N
XLogP6.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The IUPAC name of 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol (CID 72994394) is 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol.
What is the SMILES notation for 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The canonical SMILES for 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol is OC(c1ccccc1)(c1ccccc1)C(/N=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The InChIKey is DHESUXFVMRLLTC-AWSUPERCSA-N. The full InChI is InChI=1S/C31H25NO/c33-31(27-18-6-2-7-19-27,28-20-8-3-9-21-28)30(25-14-4-1-5-15-25)32-23-26-17-12-16-24-13-10-11-22-29(24)26/h1-23,30,33H/b32-23+.
What are the key properties of 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol has a molecular weight of 427.55 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol is sourced from PubChem (CID 72994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).