8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene

C51H43N3O — CID 145447469

IUPAC8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
SMILESCc1ccccc1.NCc1ccccc1-c1ccccc1.[H]/N=C(\N)c1cccc2oc3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3c12
InChIInChI=1S/C31H22N2O.C13H13N.C7H8/c32-31(33)25-12-7-13-29-30(25)27-19-23(15-17-28(27)34-29)26-18-22(20-8-3-1-4-9-20)14-16-24(26)21-10-5-2-6-11-21;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-7-5-3-2-4-6-7/h1-19H,(H3,32,33);1-9H,10,14H2;2-6H,1H3
InChIKeyZCVFONHJXPMJNL-UHFFFAOYSA-N
MW713.93 g/mol
LogP12.68
Rot. Bonds6

About 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene

8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene (PubChem CID 145447469) has the molecular formula C51H43N3O and a molecular weight of 713.93 g/mol. Its IUPAC name is 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene.

Molecular Properties

Compound Name8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
PubChem CID145447469
Molecular FormulaC51H43N3O
Molecular Weight713.93 g/mol
Exact Mass713.34
IUPAC Name8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
SMILESCc1ccccc1.NCc1ccccc1-c1ccccc1.[H]/N=C(\N)c1cccc2oc3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3c12
InChIInChI=1S/C31H22N2O.C13H13N.C7H8/c32-31(33)25-12-7-13-29-30(25)27-19-23(15-17-28(27)34-29)26-18-22(20-8-3-1-4-9-20)14-16-24(26)21-10-5-2-6-11-21;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-7-5-3-2-4-6-7/h1-19H,(H3,32,33);1-9H,10,14H2;2-6H,1H3
InChIKeyZCVFONHJXPMJNL-UHFFFAOYSA-N
XLogP12.68
TPSA89.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 512.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
CID 145447951
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631
1-(3-methylphenyl)dibenzofuran-4-carboximidamide
CID 142453012
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene
CID 145303404
benzenecarboximidamide;8-[7'-(3-methylphenyl)-9,9'-spirobi[fluorene]-4'-yl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;phenylmethanamine
CID 164569188

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene?
The IUPAC name of 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene (CID 145447469) is 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene.
What is the SMILES notation for 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene?
The canonical SMILES for 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene is Cc1ccccc1.NCc1ccccc1-c1ccccc1.[H]/N=C(\N)c1cccc2oc3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3c12.
What is the InChIKey of 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene?
The InChIKey is ZCVFONHJXPMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O.C13H13N.C7H8/c32-31(33)25-12-7-13-29-30(25)27-19-23(15-17-28(27)34-29)26-18-22(20-8-3-1-4-9-20)14-16-24(26)21-10-5-2-6-11-21;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-7-5-3-2-4-6-7/h1-19H,(H3,32,33);1-9H,10,14H2;2-6H,1H3.
What are the key properties of 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene?
8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene has a molecular weight of 713.93 g/mol, XLogP of 12.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene is sourced from PubChem (CID 145447469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).