1,2,3-triphenylguanidine

C19H17N3 — CID 7539

IUPAC1,2,3-triphenylguanidine
SMILESc1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
InChIKeyFUPAJKKAHDLPAZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.90
Rot. Bonds3

About 1,2,3-triphenylguanidine

1,2,3-triphenylguanidine (PubChem CID 7539) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1,2,3-triphenylguanidine.

Molecular Properties

Compound Name1,2,3-triphenylguanidine
PubChem CID7539
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name1,2,3-triphenylguanidine
SMILESc1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
InChIKeyFUPAJKKAHDLPAZ-UHFFFAOYSA-N
XLogP4.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
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
Di-o-tolylguanidine
CID 7333
N,N'-Diphenylformamidine
CID 94888
Ethanimidamide, N,N'-diphenyl-
CID 12117
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Diphenylguanidine hydrochloride
CID 520104
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
1-Cyano-N,N'-diphenylformamidine
CID 22814
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylguanidine?
The IUPAC name of 1,2,3-triphenylguanidine (CID 7539) is 1,2,3-triphenylguanidine.
What is the SMILES notation for 1,2,3-triphenylguanidine?
The canonical SMILES for 1,2,3-triphenylguanidine is c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of 1,2,3-triphenylguanidine?
The InChIKey is FUPAJKKAHDLPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22).
What are the key properties of 1,2,3-triphenylguanidine?
1,2,3-triphenylguanidine has a molecular weight of 287.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylguanidine is sourced from PubChem (CID 7539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).