N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine

C38H29NO — CID 175230135

IUPACN-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H29NO/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)38(34-22-12-4-13-23-34,35-24-14-5-15-25-35)40-39-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33/h1-29H
InChIKeyCAZOWDSUFQYJGA-UHFFFAOYSA-N
MW515.66 g/mol
LogP9.11
Rot. Bonds8

About N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine

N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine (PubChem CID 175230135) has the molecular formula C38H29NO and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine
PubChem CID175230135
Molecular FormulaC38H29NO
Molecular Weight515.66 g/mol
Exact Mass515.22
IUPAC NameN-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H29NO/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)38(34-22-12-4-13-23-34,35-24-14-5-15-25-35)40-39-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33/h1-29H
InChIKeyCAZOWDSUFQYJGA-UHFFFAOYSA-N
XLogP9.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 59.11
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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Frequently Asked Questions

What is the IUPAC name of N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine (CID 175230135) is N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine is c1ccc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine?
The InChIKey is CAZOWDSUFQYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29NO/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)38(34-22-12-4-13-23-34,35-24-14-5-15-25-35)40-39-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33/h1-29H.
What are the key properties of N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine?
N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine has a molecular weight of 515.66 g/mol, XLogP of 9.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 175230135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).