5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C36H27N — CID 118232170

IUPAC5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cc4c(cn3)C3CCC4CC3)cc21
InChIInChI=1S/C36H27N/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)36(31)33-12-6-3-9-27(33)28-18-17-24(19-34(28)36)35-20-29-22-13-15-23(16-14-22)30(29)21-37-35/h1-12,17-23H,13-16H2
InChIKeyMPIXLWBQNKIFEC-UHFFFAOYSA-N
MW473.62 g/mol
LogP8.85
Rot. Bonds1

About 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 118232170) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID118232170
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cc4c(cn3)C3CCC4CC3)cc21
InChIInChI=1S/C36H27N/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)36(31)33-12-6-3-9-27(33)28-18-17-24(19-34(28)36)35-20-29-22-13-15-23(16-14-22)30(29)21-37-35/h1-12,17-23H,13-16H2
InChIKeyMPIXLWBQNKIFEC-UHFFFAOYSA-N
XLogP8.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene with MolForge

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Related Compounds

2-phenyl-5-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261195
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 142417672
5-dibenzofuran-2-yl-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 90076974
2-(4-tert-butylphenyl)-5-[2'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2-yl]pyrimidine
CID 164717287
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249963
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338

Frequently Asked Questions

What is the IUPAC name of 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 118232170) is 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cc4c(cn3)C3CCC4CC3)cc21.
What is the InChIKey of 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is MPIXLWBQNKIFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)36(31)33-12-6-3-9-27(33)28-18-17-24(19-34(28)36)35-20-29-22-13-15-23(16-14-22)30(29)21-37-35/h1-12,17-23H,13-16H2.
What are the key properties of 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 473.62 g/mol, XLogP of 8.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9'-spirobi[fluorene]-2-yl)-4-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 118232170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).