1,1,3-triphenyl-3-phenyliminopropan-1-ol

C27H23NO — CID 20870790

IUPAC1,1,3-triphenyl-3-phenyliminopropan-1-ol
SMILESOC(C/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO/c29-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)28-25-19-11-4-12-20-25/h1-20,29H,21H2/b28-26-
InChIKeyJICKCMWEZBUEJQ-SGEDCAFJSA-N
MW377.49 g/mol
LogP6.13
Rot. Bonds6

About 1,1,3-triphenyl-3-phenyliminopropan-1-ol

1,1,3-triphenyl-3-phenyliminopropan-1-ol (PubChem CID 20870790) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 1,1,3-triphenyl-3-phenyliminopropan-1-ol.

Molecular Properties

Compound Name1,1,3-triphenyl-3-phenyliminopropan-1-ol
PubChem CID20870790
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name1,1,3-triphenyl-3-phenyliminopropan-1-ol
SMILESOC(C/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO/c29-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)28-25-19-11-4-12-20-25/h1-20,29H,21H2/b28-26-
InChIKeyJICKCMWEZBUEJQ-SGEDCAFJSA-N
XLogP6.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.13
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

2-phenyl-2-phenyliminoethanamine
CID 118895747
dichlorozirconium;1,1,1-trifluoro-2-methyl-4-phenyl-4-phenyliminobutan-2-ol
CID 58560041
N,1-diphenylbut-3-en-1-imine
CID 12676193
(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
CID 72714253
N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
CID 174634496
2-iodo-1,1-diphenylethanol
CID 11738821
2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
CID 597415
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
sodium N-phenylbenzenecarboximidate
CID 101478237
3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
CID 71346027

Frequently Asked Questions

What is the IUPAC name of 1,1,3-triphenyl-3-phenyliminopropan-1-ol?
The IUPAC name of 1,1,3-triphenyl-3-phenyliminopropan-1-ol (CID 20870790) is 1,1,3-triphenyl-3-phenyliminopropan-1-ol.
What is the SMILES notation for 1,1,3-triphenyl-3-phenyliminopropan-1-ol?
The canonical SMILES for 1,1,3-triphenyl-3-phenyliminopropan-1-ol is OC(C/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3-triphenyl-3-phenyliminopropan-1-ol?
The InChIKey is JICKCMWEZBUEJQ-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H23NO/c29-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)28-25-19-11-4-12-20-25/h1-20,29H,21H2/b28-26-.
What are the key properties of 1,1,3-triphenyl-3-phenyliminopropan-1-ol?
1,1,3-triphenyl-3-phenyliminopropan-1-ol has a molecular weight of 377.49 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triphenyl-3-phenyliminopropan-1-ol is sourced from PubChem (CID 20870790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).