4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

C29H18N2 — CID 142417672

IUPAC4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccncn3)cc21
InChIInChI=1S/C29H18N2/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)29(24)26-12-6-3-9-22(26)23-14-13-19(17-27(23)29)28-15-16-30-18-31-28/h1-18H
InChIKeyBIRINCWTFUCRCA-UHFFFAOYSA-N
MW394.48 g/mol
LogP6.49
Rot. Bonds1

About 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (PubChem CID 142417672) has the molecular formula C29H18N2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
PubChem CID142417672
Molecular FormulaC29H18N2
Molecular Weight394.48 g/mol
Exact Mass394.15
IUPAC Name4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccncn3)cc21
InChIInChI=1S/C29H18N2/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)29(24)26-12-6-3-9-22(26)23-14-13-19(17-27(23)29)28-15-16-30-18-31-28/h1-18H
InChIKeyBIRINCWTFUCRCA-UHFFFAOYSA-N
XLogP6.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dipyridin-4-yl-6-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'-yl-1,3,5-triazine
CID 130267940
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
4-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)pyrimidine
CID 118698668
2-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 134531002
diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 102359075
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-(4-methylphenyl)-4-(4-pyridin-2-ylphenyl)-6-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 130261417
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816

Frequently Asked Questions

What is the IUPAC name of 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The IUPAC name of 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (CID 142417672) is 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.
What is the SMILES notation for 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The canonical SMILES for 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccncn3)cc21.
What is the InChIKey of 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The InChIKey is BIRINCWTFUCRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)29(24)26-12-6-3-9-22(26)23-14-13-19(17-27(23)29)28-15-16-30-18-31-28/h1-18H.
What are the key properties of 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine has a molecular weight of 394.48 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is sourced from PubChem (CID 142417672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).