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

C31H25NO — CID 11524736

IUPAC(2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H](/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+/t30-/m0/s1
InChIKeyDHESUXFVMRLLTC-WDTGHZBBSA-N
MW427.55 g/mol
LogP6.94
Rot. Bonds6

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

(2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol (PubChem CID 11524736) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
PubChem CID11524736
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name(2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H](/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+/t30-/m0/s1
InChIKeyDHESUXFVMRLLTC-WDTGHZBBSA-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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Related Compounds

5,7-Diphenylbenzo[d][2]benzazepin-5-ol
CID 13757316
(1R,2S)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237804
(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237805
2-[(Naphthalen-1-ylmethylene)amino]-1-phenylethan1-ol
CID 134159652
(2R,3S)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
CID 135055317
(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
CID 135055491
(R)-(-)-[1-(1-Naphthyl)ethyl]salicylaldimine
CID 136658907
(1R,2S)-1-phenyl-2-(pyren-1-ylmethylideneamino)propan-1-ol
CID 139186315
(2S)-2-[[3-[[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]iminomethyl]phenyl]methylideneamino]-4-methyl-1,1-diphenylpentan-1-ol
CID 139240572
(9S,10S)-10-(benzhydrylideneamino)-9-propan-2-yl-10H-phenanthren-9-ol
CID 168346024
1-(3-benzyl-4,5-dihydro-3H-2-benzazepin-8-yl)-2,2,2-trifluoro-1-naphthalen-1-ylethanol
CID 162582563
2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(3-phenyl-4,5-dihydro-3H-2-benzazepin-8-yl)ethanol
CID 162582593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The IUPAC name of (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol (CID 11524736) is (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The canonical SMILES for (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol is OC(c1ccccc1)(c1ccccc1)[C@@H](/N=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
The InChIKey is DHESUXFVMRLLTC-WDTGHZBBSA-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+/t30-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol?
(2S)-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 (2S)-2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol is sourced from PubChem (CID 11524736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).