N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine

C35H23N — CID 71367388

IUPACN-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine
SMILESC(#Cc1ccc(C#Cc2ccccc2)c(N=C(c2ccccc2)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C35H23N/c1-5-13-28(14-6-1)21-22-30-24-26-31(25-23-29-15-7-2-8-16-29)34(27-30)36-35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-20,24,26-27H
InChIKeyOFRGUSRYNNOWFE-UHFFFAOYSA-N
MW457.58 g/mol
LogP7.66
Rot. Bonds3

About N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine

N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine (PubChem CID 71367388) has the molecular formula C35H23N and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine
PubChem CID71367388
Molecular FormulaC35H23N
Molecular Weight457.58 g/mol
Exact Mass457.18
IUPAC NameN-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine
SMILESC(#Cc1ccc(C#Cc2ccccc2)c(N=C(c2ccccc2)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C35H23N/c1-5-13-28(14-6-1)21-22-30-24-26-31(25-23-29-15-7-2-8-16-29)34(27-30)36-35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-20,24,26-27H
InChIKeyOFRGUSRYNNOWFE-UHFFFAOYSA-N
XLogP7.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(benzhydrylideneamino)benzene-1,2-dicarbonitrile
CID 166638263
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
3-(2-phenylethynyl)benzoate
CID 6994341
N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
CID 134845676
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-amino-5-(2-phenylethynyl)benzonitrile
CID 54411075
1,2,7-tris(2-phenylethynyl)naphthalene
CID 86009287
4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridinyl]pyridine
CID 102151582
N-(benzhydrylideneamino)-2-(2-phenylethynyl)benzamide
CID 146166671
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine (CID 71367388) is N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine is C(#Cc1ccc(C#Cc2ccccc2)c(N=C(c2ccccc2)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is OFRGUSRYNNOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N/c1-5-13-28(14-6-1)21-22-30-24-26-31(25-23-29-15-7-2-8-16-29)34(27-30)36-35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-20,24,26-27H.
What are the key properties of N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine?
N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine has a molecular weight of 457.58 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(2-phenylethynyl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 71367388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).