N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide

C55H47N3 — CID 170022446

IUPACN'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1)c1cc2c(c(-c3ccc4c(c3)C(C)(C)C3=C4CCC=C3)c1)-c1c(ccc3c1C=CCC3C)C2
InChIInChI=1S/C55H47N3/c1-35-15-13-23-47-44(35)27-26-40-30-42-31-43(32-48(52(42)51(40)47)39-25-28-46-45-22-11-12-24-49(45)55(2,3)50(46)33-39)53(56-4)58-54(57-34-36-16-7-5-8-17-36)41-21-14-20-38(29-41)37-18-9-6-10-19-37/h5-10,12-14,16-21,23-29,31-33,35H,4,11,15,22,30,34H2,1-3H3/b57-54+,58-53-
InChIKeyJSYKHHDBEIQPOU-JPQLJQBBSA-N
MW750.00 g/mol
LogP13.60
Rot. Bonds6

About N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide

N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide (PubChem CID 170022446) has the molecular formula C55H47N3 and a molecular weight of 750.00 g/mol. Its IUPAC name is N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide.

Molecular Properties

Compound NameN'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide
PubChem CID170022446
Molecular FormulaC55H47N3
Molecular Weight750.00 g/mol
Exact Mass749.38
IUPAC NameN'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1)c1cc2c(c(-c3ccc4c(c3)C(C)(C)C3=C4CCC=C3)c1)-c1c(ccc3c1C=CCC3C)C2
InChIInChI=1S/C55H47N3/c1-35-15-13-23-47-44(35)27-26-40-30-42-31-43(32-48(52(42)51(40)47)39-25-28-46-45-22-11-12-24-49(45)55(2,3)50(46)33-39)53(56-4)58-54(57-34-36-16-7-5-8-17-36)41-21-14-20-38(29-41)37-18-9-6-10-19-37/h5-10,12-14,16-21,23-29,31-33,35H,4,11,15,22,30,34H2,1-3H3/b57-54+,58-53-
InChIKeyJSYKHHDBEIQPOU-JPQLJQBBSA-N
XLogP13.60
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.00
LogP ≤ 513.60
H-Bond Donors ≤ 50
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

N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N-[(1Z)-1-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-4-phenylpenta-1,4-dienyl]-1-[3-(21-pentacyclo[12.9.0.02,7.08,13.015,20]tricosa-1(14),2,4,6,8,10,12,15,17,19,22-undecaenyl)phenyl]ethanimine;ethane;hydroiodide
CID 145340328
7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide
CID 145237267
CID 145229229
CID 145229229
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
CID 134321233
N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
CID 174306376
N'-[N-[[7'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]methyl]-C-(4-phenylphenyl)carbonimidoyl]-N-methylidene-4-phenylbenzenecarboximidamide
CID 139376532
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine;ethane
CID 142406196
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067

Frequently Asked Questions

What is the IUPAC name of N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide?
The IUPAC name of N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide (CID 170022446) is N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide.
What is the SMILES notation for N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide?
The canonical SMILES for N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide is C=N/C(=N\C(=N\Cc1ccccc1)c1cccc(-c2ccccc2)c1)c1cc2c(c(-c3ccc4c(c3)C(C)(C)C3=C4CCC=C3)c1)-c1c(ccc3c1C=CCC3C)C2.
What is the InChIKey of N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide?
The InChIKey is JSYKHHDBEIQPOU-JPQLJQBBSA-N. The full InChI is InChI=1S/C55H47N3/c1-35-15-13-23-47-44(35)27-26-40-30-42-31-43(32-48(52(42)51(40)47)39-25-28-46-45-22-11-12-24-49(45)55(2,3)50(46)33-39)53(56-4)58-54(57-34-36-16-7-5-8-17-36)41-21-14-20-38(29-41)37-18-9-6-10-19-37/h5-10,12-14,16-21,23-29,31-33,35H,4,11,15,22,30,34H2,1-3H3/b57-54+,58-53-.
What are the key properties of N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide?
N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide has a molecular weight of 750.00 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide is sourced from PubChem (CID 170022446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).