1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine

C38H35N3O3 — CID 87328446

IUPAC1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
SMILESc1ccc(CON=C(CC(=NOCc2ccccc2)c2ccccc2)CC(=NOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H35N3O3/c1-6-16-31(17-7-1)28-42-39-36(26-37(34-22-12-4-13-23-34)40-43-29-32-18-8-2-9-19-32)27-38(35-24-14-5-15-25-35)41-44-30-33-20-10-3-11-21-33/h1-25H,26-30H2
InChIKeyAFHOJSDIGGFASJ-UHFFFAOYSA-N
MW581.72 g/mol
LogP8.58
Rot. Bonds15

About 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine

1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine (PubChem CID 87328446) has the molecular formula C38H35N3O3 and a molecular weight of 581.72 g/mol. Its IUPAC name is 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine.

Molecular Properties

Compound Name1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
PubChem CID87328446
Molecular FormulaC38H35N3O3
Molecular Weight581.72 g/mol
Exact Mass581.27
IUPAC Name1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
SMILESc1ccc(CON=C(CC(=NOCc2ccccc2)c2ccccc2)CC(=NOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H35N3O3/c1-6-16-31(17-7-1)28-42-39-36(26-37(34-22-12-4-13-23-34)40-43-29-32-18-8-2-9-19-32)27-38(35-24-14-5-15-25-35)41-44-30-33-20-10-3-11-21-33/h1-25H,26-30H2
InChIKeyAFHOJSDIGGFASJ-UHFFFAOYSA-N
XLogP8.58
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
CID 88532089
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
4-phenylmethoxyiminohexanenitrile
CID 140887374
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
CID 150361849
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine?
The IUPAC name of 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine (CID 87328446) is 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine.
What is the SMILES notation for 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine?
The canonical SMILES for 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine is c1ccc(CON=C(CC(=NOCc2ccccc2)c2ccccc2)CC(=NOCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine?
The InChIKey is AFHOJSDIGGFASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O3/c1-6-16-31(17-7-1)28-42-39-36(26-37(34-22-12-4-13-23-34)40-43-29-32-18-8-2-9-19-32)27-38(35-24-14-5-15-25-35)41-44-30-33-20-10-3-11-21-33/h1-25H,26-30H2.
What are the key properties of 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine?
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine has a molecular weight of 581.72 g/mol, XLogP of 8.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine is sourced from PubChem (CID 87328446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).