benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene

C37H35N5 — CID 145303404

IUPACbenzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene
SMILESCc1ccccc1.NCc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C23H19N3.C7H8N2.C7H8/c24-16-19-13-7-8-14-20(19)23-25-21(17-9-3-1-4-10-17)15-22(26-23)18-11-5-2-6-12-18;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-15H,16,24H2;1-5H,(H3,8,9);2-6H,1H3
InChIKeyZOVRYMUSYJAZNE-UHFFFAOYSA-N
MW549.72 g/mol
LogP7.90
Rot. Bonds5

About benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene

benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene (PubChem CID 145303404) has the molecular formula C37H35N5 and a molecular weight of 549.72 g/mol. Its IUPAC name is benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene.

Molecular Properties

Compound Namebenzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene
PubChem CID145303404
Molecular FormulaC37H35N5
Molecular Weight549.72 g/mol
Exact Mass549.29
IUPAC Namebenzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene
SMILESCc1ccccc1.NCc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C23H19N3.C7H8N2.C7H8/c24-16-19-13-7-8-14-20(19)23-25-21(17-9-3-1-4-10-17)15-22(26-23)18-11-5-2-6-12-18;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-15H,16,24H2;1-5H,(H3,8,9);2-6H,1H3
InChIKeyZOVRYMUSYJAZNE-UHFFFAOYSA-N
XLogP7.90
TPSA101.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

benzenecarboximidamide;toluene
CID 158219006
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide;benzenecarboximidamide;toluene
CID 145212337
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
CID 145447469
benzenecarboximidamide;hydron;chloride
CID 66824376
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
CID 142425010
ethane;(2-phenylphenyl)methanamine
CID 142592948
benzenecarboximidamide;propanoic acid
CID 159833627
(9,9-dimethylfluoren-4-yl)methanamine;4-[2-methyl-3-(4-triphenylen-2-ylphenoxy)phenyl]benzenecarboximidamide;toluene
CID 145447236

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene?
The IUPAC name of benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene (CID 145303404) is benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene.
What is the SMILES notation for benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene?
The canonical SMILES for benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene is Cc1ccccc1.NCc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene?
The InChIKey is ZOVRYMUSYJAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3.C7H8N2.C7H8/c24-16-19-13-7-8-14-20(19)23-25-21(17-9-3-1-4-10-17)15-22(26-23)18-11-5-2-6-12-18;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-15H,16,24H2;1-5H,(H3,8,9);2-6H,1H3.
What are the key properties of benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene?
benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene has a molecular weight of 549.72 g/mol, XLogP of 7.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene is sourced from PubChem (CID 145303404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).