1,1,2-triphenylguanidine

C19H17N3 — CID 11778

IUPAC1,1,2-triphenylguanidine
SMILESN/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3/c20-19(21-16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,20,21)
InChIKeyRYCFRVNAZOREPC-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.47
Rot. Bonds3

About 1,1,2-triphenylguanidine

1,1,2-triphenylguanidine (PubChem CID 11778) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1,1,2-triphenylguanidine.

Molecular Properties

Compound Name1,1,2-triphenylguanidine
PubChem CID11778
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name1,1,2-triphenylguanidine
SMILESN/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3/c20-19(21-16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,20,21)
InChIKeyRYCFRVNAZOREPC-UHFFFAOYSA-N
XLogP4.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Diphenylguanidine
CID 7594
1,2,3-Triphenylguanidine
CID 7539
Triphenylamine
CID 11775
Nitron
CID 720071
N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine
CID 199391
N,N'-Diphenylguanidine monohydrochloride
CID 32260
N,N-Diphenyl-p-phenylenediamine
CID 75371
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
1,1,3-Triphenylurea
CID 597994
1,4-Benzenediamine, N1,N1-bis(4-aminophenyl)-
CID 80083
Diphenylguanidine hydrochloride
CID 520104
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylguanidine?
The IUPAC name of 1,1,2-triphenylguanidine (CID 11778) is 1,1,2-triphenylguanidine.
What is the SMILES notation for 1,1,2-triphenylguanidine?
The canonical SMILES for 1,1,2-triphenylguanidine is N/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylguanidine?
The InChIKey is RYCFRVNAZOREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c20-19(21-16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,20,21).
What are the key properties of 1,1,2-triphenylguanidine?
1,1,2-triphenylguanidine has a molecular weight of 287.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylguanidine is sourced from PubChem (CID 11778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).