N-benzhydryl-1,1-diphenylmethanimine

C78H63N3 — CID 139207108

IUPACN-benzhydryl-1,1-diphenylmethanimine
SMILESc1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H21N/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h3*1-20,25H
InChIKeyGUYQBPQMPMTURZ-UHFFFAOYSA-N
MW1042.38 g/mol
LogP18.94
Rot. Bonds15

About N-benzhydryl-1,1-diphenylmethanimine

N-benzhydryl-1,1-diphenylmethanimine (PubChem CID 139207108) has the molecular formula C78H63N3 and a molecular weight of 1042.38 g/mol. Its IUPAC name is N-benzhydryl-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-benzhydryl-1,1-diphenylmethanimine
PubChem CID139207108
Molecular FormulaC78H63N3
Molecular Weight1042.38 g/mol
Exact Mass1041.50
IUPAC NameN-benzhydryl-1,1-diphenylmethanimine
SMILESc1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H21N/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h3*1-20,25H
InChIKeyGUYQBPQMPMTURZ-UHFFFAOYSA-N
XLogP18.94
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.38
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,1-diphenylmethanimine?
The IUPAC name of N-benzhydryl-1,1-diphenylmethanimine (CID 139207108) is N-benzhydryl-1,1-diphenylmethanimine.
What is the SMILES notation for N-benzhydryl-1,1-diphenylmethanimine?
The canonical SMILES for N-benzhydryl-1,1-diphenylmethanimine is c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1,1-diphenylmethanimine?
The InChIKey is GUYQBPQMPMTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H21N/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h3*1-20,25H.
What are the key properties of N-benzhydryl-1,1-diphenylmethanimine?
N-benzhydryl-1,1-diphenylmethanimine has a molecular weight of 1042.38 g/mol, XLogP of 18.94, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,1-diphenylmethanimine is sourced from PubChem (CID 139207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).