7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

C30H23N3 — CID 171758272

IUPAC7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCN4CCN=C43)cc21
InChIInChI=1S/C30H23N3/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)30(25)27-12-6-3-9-23(27)24-14-13-20(19-28(24)30)33-18-17-32-16-15-31-29(32)33/h1-14,19H,15-18H2
InChIKeyJRAKRKHDHVPDOS-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.52
Rot. Bonds1

About 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (PubChem CID 171758272) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
PubChem CID171758272
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCN4CCN=C43)cc21
InChIInChI=1S/C30H23N3/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)30(25)27-12-6-3-9-23(27)24-14-13-20(19-28(24)30)33-18-17-32-16-15-31-29(32)33/h1-14,19H,15-18H2
InChIKeyJRAKRKHDHVPDOS-UHFFFAOYSA-N
XLogP5.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9,9'-spirobi[fluorene]-2-yl)-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyrimidine
CID 171758275
2-phenyl-9-[2,2',7'-tris(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-9,9'-spirobi[fluorene]-4-yl]-1,10-phenanthroline
CID 169322109
8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
CID 169322130
14-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-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
1-[(1E)-1-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)buta-1,3-dien-2-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 174354376
1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
CID 139233377
CID 147413538
CID 147413538
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787

Frequently Asked Questions

What is the IUPAC name of 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The IUPAC name of 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (CID 171758272) is 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.
What is the SMILES notation for 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The canonical SMILES for 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCN4CCN=C43)cc21.
What is the InChIKey of 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The InChIKey is JRAKRKHDHVPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-4-10-25-21(7-1)22-8-2-5-11-26(22)30(25)27-12-6-3-9-23(27)24-14-13-20(19-28(24)30)33-18-17-32-16-15-31-29(32)33/h1-14,19H,15-18H2.
What are the key properties of 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole has a molecular weight of 425.54 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is sourced from PubChem (CID 171758272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).