(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol

C34H31NO — CID 135055491

IUPAC(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
SMILESCC[C@@](O)(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31NO/c1-2-34(36,30-22-10-5-11-23-30)32(25-29-21-14-20-26-15-12-13-24-31(26)29)35-33(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-24,32,36H,2,25H2,1H3/t32-,34-/m1/s1
InChIKeyAQZAEZMPFYKPQB-ZFEZZJPFSA-N
MW469.63 g/mol
LogP7.59
Rot. Bonds8

About (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol

(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol (PubChem CID 135055491) has the molecular formula C34H31NO and a molecular weight of 469.63 g/mol. Its IUPAC name is (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
PubChem CID135055491
Molecular FormulaC34H31NO
Molecular Weight469.63 g/mol
Exact Mass469.24
IUPAC Name(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
SMILESCC[C@@](O)(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31NO/c1-2-34(36,30-22-10-5-11-23-30)32(25-29-21-14-20-26-15-12-13-24-31(26)29)35-33(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-24,32,36H,2,25H2,1H3/t32-,34-/m1/s1
InChIKeyAQZAEZMPFYKPQB-ZFEZZJPFSA-N
XLogP7.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 57.59
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

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CID 13757316
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CID 11524736
2-[(Naphthalen-1-ylmethylene)amino]-1-phenylethan1-ol
CID 134159652
(2R,3S)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol
CID 135055317
(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-Amino-2-cyclohexyl-1,1-dinaphthalen-1-ylethanol
CID 10135334
2-Amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol
CID 10200742
(R)-2-amino-2-cyclohexyl-1,1-bis(2-naphthyl)ethanol
CID 12088880
1-Phenanthren-2-yl-1-(1-phenanthren-2-ylethyldiazenyl)ethanol
CID 20356799

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol?
The IUPAC name of (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol (CID 135055491) is (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol.
What is the SMILES notation for (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol?
The canonical SMILES for (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol is CC[C@@](O)(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol?
The InChIKey is AQZAEZMPFYKPQB-ZFEZZJPFSA-N. The full InChI is InChI=1S/C34H31NO/c1-2-34(36,30-22-10-5-11-23-30)32(25-29-21-14-20-26-15-12-13-24-31(26)29)35-33(27-16-6-3-7-17-27)28-18-8-4-9-19-28/h3-24,32,36H,2,25H2,1H3/t32-,34-/m1/s1.
What are the key properties of (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol?
(2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol has a molecular weight of 469.63 g/mol, XLogP of 7.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzhydrylideneamino)-1-naphthalen-1-yl-3-phenylpentan-3-ol is sourced from PubChem (CID 135055491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).