N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine

C32H23Cl2NO — CID 163288845

IUPACN-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine
SMILESClc1ccc(C(ON=C(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H23Cl2NO/c33-29-20-16-27(17-21-29)32(26-14-8-3-9-15-26,28-18-22-30(34)23-19-28)36-35-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-23H
InChIKeyXPRRITPJUVEVKW-UHFFFAOYSA-N
MW508.45 g/mol
LogP8.75
Rot. Bonds7

About N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine

N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine (PubChem CID 163288845) has the molecular formula C32H23Cl2NO and a molecular weight of 508.45 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine
PubChem CID163288845
Molecular FormulaC32H23Cl2NO
Molecular Weight508.45 g/mol
Exact Mass507.12
IUPAC NameN-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine
SMILESClc1ccc(C(ON=C(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H23Cl2NO/c33-29-20-16-27(17-21-29)32(26-14-8-3-9-15-26,28-18-22-30(34)23-19-28)36-35-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-23H
InChIKeyXPRRITPJUVEVKW-UHFFFAOYSA-N
XLogP8.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.45
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine
CID 175230135
(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
CID 177465643
N'-trityloxyethanimidamide
CID 5477852
1-chloro-4-tritylbenzene
CID 14737307
N'-trityloxyethanimidamide;hydrochloride
CID 54600706
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone
CID 18982559
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
(E)-1-phenyl-N-trityloxymethanimine
CID 5382595
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
CID 6380826

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine (CID 163288845) is N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine is Clc1ccc(C(ON=C(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine?
The InChIKey is XPRRITPJUVEVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl2NO/c33-29-20-16-27(17-21-29)32(26-14-8-3-9-15-26,28-18-22-30(34)23-19-28)36-35-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-23H.
What are the key properties of N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine?
N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine has a molecular weight of 508.45 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 163288845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).