N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran

C56H43N3O — CID 145447143

IUPACN-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
SMILESCc1cccc(-c2cccc3oc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c23)c1.[H]/N=C(\N=C(/N)c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H22O.C23H21N3/c1-21-6-4-8-26(18-21)28-10-5-11-32-33(28)30-20-25(16-17-31(30)34-32)24-15-14-23-13-12-22-7-2-3-9-27(22)29(23)19-24;1-23(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)23)22(25)26-21(24)15-8-4-3-5-9-15/h2-20H,1H3;3-14H,1-2H3,(H3,24,25,26)
InChIKeyFJDBYAWDJRDGSE-UHFFFAOYSA-N
MW773.98 g/mol
LogP14.26
Rot. Bonds4

About N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran

N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran (PubChem CID 145447143) has the molecular formula C56H43N3O and a molecular weight of 773.98 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
PubChem CID145447143
Molecular FormulaC56H43N3O
Molecular Weight773.98 g/mol
Exact Mass773.34
IUPAC NameN-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
SMILESCc1cccc(-c2cccc3oc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c23)c1.[H]/N=C(\N=C(/N)c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H22O.C23H21N3/c1-21-6-4-8-26(18-21)28-10-5-11-32-33(28)30-20-25(16-17-31(30)34-32)24-15-14-23-13-12-22-7-2-3-9-27(22)29(23)19-24;1-23(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)23)22(25)26-21(24)15-8-4-3-5-9-15/h2-20H,1H3;3-14H,1-2H3,(H3,24,25,26)
InChIKeyFJDBYAWDJRDGSE-UHFFFAOYSA-N
XLogP14.26
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 514.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
9,9-dimethyl-N'-[4-(8-phenanthren-9-yldibenzofuran-1-yl)benzenecarboximidoyl]fluorene-4-carboximidamide
CID 145447662
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran
CID 145447202
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran?
The IUPAC name of N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran (CID 145447143) is N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran.
What is the SMILES notation for N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran?
The canonical SMILES for N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran is Cc1cccc(-c2cccc3oc4ccc(-c5ccc6ccc7ccccc7c6c5)cc4c23)c1.[H]/N=C(\N=C(/N)c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran?
The InChIKey is FJDBYAWDJRDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O.C23H21N3/c1-21-6-4-8-26(18-21)28-10-5-11-32-33(28)30-20-25(16-17-31(30)34-32)24-15-14-23-13-12-22-7-2-3-9-27(22)29(23)19-24;1-23(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)23)22(25)26-21(24)15-8-4-3-5-9-15/h2-20H,1H3;3-14H,1-2H3,(H3,24,25,26).
What are the key properties of N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran?
N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran has a molecular weight of 773.98 g/mol, XLogP of 14.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran is sourced from PubChem (CID 145447143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).