[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate

C38H27N3O2 — CID 137388448

IUPAC[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
SMILES[H]/N=C(\OC(N)c1ccccc1)c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C38H27N3O2/c39-36(24-11-2-1-3-12-24)43-37(40)25-21-22-33(41-23-25)28-15-10-19-32-35(28)42-34-20-9-8-18-31(34)38(32)29-16-6-4-13-26(29)27-14-5-7-17-30(27)38/h1-23,36,40H,39H2/b40-37-
InChIKeyUWFAKFMRIGSXLZ-CUXNAULPSA-N
MW557.65 g/mol
LogP8.22
Rot. Bonds4

About [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate

[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate (PubChem CID 137388448) has the molecular formula C38H27N3O2 and a molecular weight of 557.65 g/mol. Its IUPAC name is [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate.

Molecular Properties

Compound Name[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
PubChem CID137388448
Molecular FormulaC38H27N3O2
Molecular Weight557.65 g/mol
Exact Mass557.21
IUPAC Name[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
SMILES[H]/N=C(\OC(N)c1ccccc1)c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C38H27N3O2/c39-36(24-11-2-1-3-12-24)43-37(40)25-21-22-33(41-23-25)28-15-10-19-32-35(28)42-34-20-9-8-18-31(34)38(32)29-16-6-4-13-26(29)27-14-5-7-17-30(27)38/h1-23,36,40H,39H2/b40-37-
InChIKeyUWFAKFMRIGSXLZ-CUXNAULPSA-N
XLogP8.22
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzenecarboximidoyl 6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
CID 130379250
[amino(phenyl)methyl] 4-(9,9-dimethylxanthen-3-yl)benzenecarboximidate
CID 166908466
[amino-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)methyl] benzenecarboximidothioate
CID 155442859
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
CID 130379985
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158257861
(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
CID 155443498
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate?
The IUPAC name of [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate (CID 137388448) is [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate.
What is the SMILES notation for [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate?
The canonical SMILES for [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate is [H]/N=C(\OC(N)c1ccccc1)c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate?
The InChIKey is UWFAKFMRIGSXLZ-CUXNAULPSA-N. The full InChI is InChI=1S/C38H27N3O2/c39-36(24-11-2-1-3-12-24)43-37(40)25-21-22-33(41-23-25)28-15-10-19-32-35(28)42-34-20-9-8-18-31(34)38(32)29-16-6-4-13-26(29)27-14-5-7-17-30(27)38/h1-23,36,40H,39H2/b40-37-.
What are the key properties of [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate?
[amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate has a molecular weight of 557.65 g/mol, XLogP of 8.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl] 6-spiro[fluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate is sourced from PubChem (CID 137388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).