5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine

C37H30N2 — CID 144979749

IUPAC5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine
SMILES[H]/N=C(\CCC=C(NC)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C37H30N2/c1-39-36(25-12-3-2-4-13-25)21-11-20-35(38)26-22-23-30-29-16-7-10-19-33(29)37(34(30)24-26)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h2-10,12-19,21-24,38-39H,11,20H2,1H3/b36-21?,38-35+
InChIKeyFMYLGZWAGTVZLX-IRKRCXGJSA-N
MW502.66 g/mol
LogP8.44
Rot. Bonds6

About 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine

5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine (PubChem CID 144979749) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine
PubChem CID144979749
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine
SMILES[H]/N=C(\CCC=C(NC)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C37H30N2/c1-39-36(25-12-3-2-4-13-25)21-11-20-35(38)26-22-23-30-29-16-7-10-19-33(29)37(34(30)24-26)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h2-10,12-19,21-24,38-39H,11,20H2,1H3/b36-21?,38-35+
InChIKeyFMYLGZWAGTVZLX-IRKRCXGJSA-N
XLogP8.44
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)ethanimine
CID 144639664
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
1,4-bis(9,9'-spirobi[fluorene]-2-yl)but-2-ene-1,4-dione
CID 76648229
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
phenyl-[4-(9-phenylfluoren-9-yl)phenyl]methanimine
CID 167230637
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
[2-benzoyl-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]-phenylmethanone
CID 58084722
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 58607554
CID 58607554
(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine
CID 176834811

Frequently Asked Questions

What is the IUPAC name of 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine?
The IUPAC name of 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine (CID 144979749) is 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine.
What is the SMILES notation for 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine?
The canonical SMILES for 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine is [H]/N=C(\CCC=C(NC)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine?
The InChIKey is FMYLGZWAGTVZLX-IRKRCXGJSA-N. The full InChI is InChI=1S/C37H30N2/c1-39-36(25-12-3-2-4-13-25)21-11-20-35(38)26-22-23-30-29-16-7-10-19-33(29)37(34(30)24-26)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h2-10,12-19,21-24,38-39H,11,20H2,1H3/b36-21?,38-35+.
What are the key properties of 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine?
5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine has a molecular weight of 502.66 g/mol, XLogP of 8.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-N-methyl-1-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pent-1-en-1-amine is sourced from PubChem (CID 144979749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).