1,2-bis(4-phenylphenyl)guanidine

C25H21N3 — CID 10784939

IUPAC1,2-bis(4-phenylphenyl)guanidine
SMILESN/C(=N\c1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3/c26-25(27-23-15-11-21(12-16-23)19-7-3-1-4-8-19)28-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,26,27,28)
InChIKeyLAZZQYZMHUJGST-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.08
Rot. Bonds4

About 1,2-bis(4-phenylphenyl)guanidine

1,2-bis(4-phenylphenyl)guanidine (PubChem CID 10784939) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1,2-bis(4-phenylphenyl)guanidine.

Molecular Properties

Compound Name1,2-bis(4-phenylphenyl)guanidine
PubChem CID10784939
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name1,2-bis(4-phenylphenyl)guanidine
SMILESN/C(=N\c1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3/c26-25(27-23-15-11-21(12-16-23)19-7-3-1-4-8-19)28-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,26,27,28)
InChIKeyLAZZQYZMHUJGST-UHFFFAOYSA-N
XLogP6.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.08
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

Di-o-tolylguanidine
CID 7333
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
1,2,3-Triphenylguanidine
CID 7539
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
N,N'-Diphenylbenzidine
CID 68280
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122
N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
N,N''-Bis(4-ethylphenyl)guanidine
CID 14771671
N,N'-Diphenylbenzamidine
CID 75709
Spermine bis-2-NapG
CID 71718364

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-phenylphenyl)guanidine?
The IUPAC name of 1,2-bis(4-phenylphenyl)guanidine (CID 10784939) is 1,2-bis(4-phenylphenyl)guanidine.
What is the SMILES notation for 1,2-bis(4-phenylphenyl)guanidine?
The canonical SMILES for 1,2-bis(4-phenylphenyl)guanidine is N/C(=N\c1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,2-bis(4-phenylphenyl)guanidine?
The InChIKey is LAZZQYZMHUJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c26-25(27-23-15-11-21(12-16-23)19-7-3-1-4-8-19)28-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,26,27,28).
What are the key properties of 1,2-bis(4-phenylphenyl)guanidine?
1,2-bis(4-phenylphenyl)guanidine has a molecular weight of 363.46 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-phenylphenyl)guanidine is sourced from PubChem (CID 10784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).