N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide

C56H59N3 — CID 168909010

IUPACN-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(Cc3cc(C(C)(C)C)ccc3CC3=CC=C(C(C)(C)C)C4C3C41)c1cccc(C(C)(C)CC)c1-2
InChIInChI=1S/C56H59N3/c1-10-55(8,9)44-22-17-23-45-48(44)42-28-25-39(51(57)59-52(36-20-15-12-16-21-36)58-34-35-18-13-11-14-19-35)32-46(42)56(45)33-40-31-41(53(2,3)4)27-24-37(40)30-38-26-29-43(54(5,6)7)49-47(38)50(49)56/h11-29,31-32,34,47,49-50,57H,10,30,33H2,1-9H3/b57-51-,58-34+,59-52-
InChIKeyCRIDYEULJCREKN-KEPBBQFASA-N
MW774.11 g/mol
LogP13.40
Rot. Bonds5

About N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide

N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide (PubChem CID 168909010) has the molecular formula C56H59N3 and a molecular weight of 774.11 g/mol. Its IUPAC name is N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide.

Molecular Properties

Compound NameN-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide
PubChem CID168909010
Molecular FormulaC56H59N3
Molecular Weight774.11 g/mol
Exact Mass773.47
IUPAC NameN-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(Cc3cc(C(C)(C)C)ccc3CC3=CC=C(C(C)(C)C)C4C3C41)c1cccc(C(C)(C)CC)c1-2
InChIInChI=1S/C56H59N3/c1-10-55(8,9)44-22-17-23-45-48(44)42-28-25-39(51(57)59-52(36-20-15-12-16-21-36)58-34-35-18-13-11-14-19-35)32-46(42)56(45)33-40-31-41(53(2,3)4)27-24-37(40)30-38-26-29-43(54(5,6)7)49-47(38)50(49)56/h11-29,31-32,34,47,49-50,57H,10,30,33H2,1-9H3/b57-51-,58-34+,59-52-
InChIKeyCRIDYEULJCREKN-KEPBBQFASA-N
XLogP13.40
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.11
LogP ≤ 513.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(benzenecarboximidoyl)-N-benzylidene-12,12,13,13-tetramethylnaphtho[1,2-b]phenanthrene-2-carboximidamide
CID 163720978
9,9-dimethyl-N-[phenyl-[[3-(20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaen-10-yl)phenyl]methylideneamino]methylidene]fluorene-2-carboximidamide
CID 163506399
3-[7-[3-[N-[(benzylideneamino)-phenylmethylidene]carbamimidoyl]phenyl]-9,9-dimethylxanthen-2-yl]-N'-(N-benzyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 130440050
N-[(cyclohepta-1,3,6-trien-1-ylmethylideneamino)-phenylmethylidene]-9-ethyl-6-[3-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-9-methylfluorene-3-carboximidamide
CID 145277063
4-bromo-N-[(phenanthren-9-ylmethylideneamino)-phenylmethylidene]naphthalene-1-carboximidamide
CID 171457310
cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;1-phenylpent-4-enylidenehafnium(2+)
CID 175704713
N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
CID 139455278
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
N'-(benzenecarboximidoyl)-N-[(9-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)methylidene]-4-(4-phenylphenyl)benzenecarboximidamide
CID 170248532
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
N-benzylidene-N'-cyclohexylbenzenecarboximidamide
CID 102469075
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798

Frequently Asked Questions

What is the IUPAC name of N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide?
The IUPAC name of N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide (CID 168909010) is N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide.
What is the SMILES notation for N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide?
The canonical SMILES for N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide is [H]/N=C(\N=C(/N=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(Cc3cc(C(C)(C)C)ccc3CC3=CC=C(C(C)(C)C)C4C3C41)c1cccc(C(C)(C)CC)c1-2.
What is the InChIKey of N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide?
The InChIKey is CRIDYEULJCREKN-KEPBBQFASA-N. The full InChI is InChI=1S/C56H59N3/c1-10-55(8,9)44-22-17-23-45-48(44)42-28-25-39(51(57)59-52(36-20-15-12-16-21-36)58-34-35-18-13-11-14-19-35)32-46(42)56(45)33-40-31-41(53(2,3)4)27-24-37(40)30-38-26-29-43(54(5,6)7)49-47(38)50(49)56/h11-29,31-32,34,47,49-50,57H,10,30,33H2,1-9H3/b57-51-,58-34+,59-52-.
What are the key properties of N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide?
N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide has a molecular weight of 774.11 g/mol, XLogP of 13.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzylideneamino)-phenylmethylidene]-7',15'-ditert-butyl-5-(2-methylbutan-2-yl)spiro[fluorene-9,3'-tetracyclo[10.4.0.02,16.05,10]hexadeca-5(10),6,8,12,14-pentaene]-2-carboximidamide is sourced from PubChem (CID 168909010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).