N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide

C37H30N2 — CID 166990759

IUPACN'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccc(C(=C)C)cc21
InChIInChI=1S/C37H30N2/c1-24(2)26-17-19-30-28-13-7-9-15-32(28)37(34(30)21-26)33-16-10-8-14-29(33)31-20-18-27(22-35(31)37)36(38-3)39-23-25-11-5-4-6-12-25/h4-7,9-13,15-22H,1,3,8,14,23H2,2H3/b39-36-
InChIKeyQAKFACMCEBKGEO-HYLXNHFUSA-N
MW502.66 g/mol
LogP8.80
Rot. Bonds4

About N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide

N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide (PubChem CID 166990759) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
PubChem CID166990759
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC NameN'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccc(C(=C)C)cc21
InChIInChI=1S/C37H30N2/c1-24(2)26-17-19-30-28-13-7-9-15-32(28)37(34(30)21-26)33-16-10-8-14-29(33)31-20-18-27(22-35(31)37)36(38-3)39-23-25-11-5-4-6-12-25/h4-7,9-13,15-22H,1,3,8,14,23H2,2H3/b39-36-
InChIKeyQAKFACMCEBKGEO-HYLXNHFUSA-N
XLogP8.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.80
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

[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
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
N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
CID 135245534
N-[1-(7-ethylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)ethenyl]-1-[2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]benzimidazol-1-yl]ethanimine
CID 166990801
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene
CID 142356477
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide?
The IUPAC name of N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide (CID 166990759) is N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide.
What is the SMILES notation for N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide?
The canonical SMILES for N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide is C=N/C(=N\Cc1ccccc1)c1ccc2c(c1)C1(C3=C2CCC=C3)c2ccccc2-c2ccc(C(=C)C)cc21.
What is the InChIKey of N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide?
The InChIKey is QAKFACMCEBKGEO-HYLXNHFUSA-N. The full InChI is InChI=1S/C37H30N2/c1-24(2)26-17-19-30-28-13-7-9-15-32(28)37(34(30)21-26)33-16-10-8-14-29(33)31-20-18-27(22-35(31)37)36(38-3)39-23-25-11-5-4-6-12-25/h4-7,9-13,15-22H,1,3,8,14,23H2,2H3/b39-36-.
What are the key properties of N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide?
N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide has a molecular weight of 502.66 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide is sourced from PubChem (CID 166990759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).