1-N,3-N,2-triphenylisoindole-1,3-diimine

C26H19N3 — CID 10785572

IUPAC1-N,3-N,2-triphenylisoindole-1,3-diimine
SMILESc1ccc(/N=C2\c3ccccc3/C(=N\c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C26H19N3/c1-4-12-20(13-5-1)27-25-23-18-10-11-19-24(23)26(28-21-14-6-2-7-15-21)29(25)22-16-8-3-9-17-22/h1-19H/b27-25+,28-26+
InChIKeyWLZACDPNOYXBGJ-NBHCHVEOSA-N
MW373.46 g/mol
LogP6.36
Rot. Bonds3

About 1-N,3-N,2-triphenylisoindole-1,3-diimine

1-N,3-N,2-triphenylisoindole-1,3-diimine (PubChem CID 10785572) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-N,3-N,2-triphenylisoindole-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N,2-triphenylisoindole-1,3-diimine
PubChem CID10785572
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name1-N,3-N,2-triphenylisoindole-1,3-diimine
SMILESc1ccc(/N=C2\c3ccccc3/C(=N\c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C26H19N3/c1-4-12-20(13-5-1)27-25-23-18-10-11-19-24(23)26(28-21-14-6-2-7-15-21)29(25)22-16-8-3-9-17-22/h1-19H/b27-25+,28-26+
InChIKeyWLZACDPNOYXBGJ-NBHCHVEOSA-N
XLogP6.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-octyl-1-N,2-bis[4-(trifluoromethyl)phenyl]isoindole-1,3-diimine
CID 122364903
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CID 59838794
1-phenyl-3-phenyliminopyrrolidine-2,5-dione
CID 57166178
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132560313
methyl (NZ)-N'-phenyl-N-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]carbamimidothioate
CID 11839834
2-N-(cinnamylideneamino)-4-N,5-N,3-triphenyl-1,3-thiazolidine-2,4,5-triimine
CID 4139929
3,5,5-triphenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 10526162
N,1,4-triphenyl-1,2,4-triazinan-3-imine
CID 137242858
2,3-diphenyloxadiaziridine
CID 67418852
carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
CID 59475428
CID 146681754
CID 146681754
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-triphenylisoindole-1,3-diimine?
The IUPAC name of 1-N,3-N,2-triphenylisoindole-1,3-diimine (CID 10785572) is 1-N,3-N,2-triphenylisoindole-1,3-diimine.
What is the SMILES notation for 1-N,3-N,2-triphenylisoindole-1,3-diimine?
The canonical SMILES for 1-N,3-N,2-triphenylisoindole-1,3-diimine is c1ccc(/N=C2\c3ccccc3/C(=N\c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 1-N,3-N,2-triphenylisoindole-1,3-diimine?
The InChIKey is WLZACDPNOYXBGJ-NBHCHVEOSA-N. The full InChI is InChI=1S/C26H19N3/c1-4-12-20(13-5-1)27-25-23-18-10-11-19-24(23)26(28-21-14-6-2-7-15-21)29(25)22-16-8-3-9-17-22/h1-19H/b27-25+,28-26+.
What are the key properties of 1-N,3-N,2-triphenylisoindole-1,3-diimine?
1-N,3-N,2-triphenylisoindole-1,3-diimine has a molecular weight of 373.46 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-triphenylisoindole-1,3-diimine is sourced from PubChem (CID 10785572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).