1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]

C23H28 — CID 18728941

IUPAC1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
SMILESCC1C(C)(C)c2ccccc2C12c1ccccc1C(C)(C)C2C
InChIInChI=1S/C23H28/c1-15-21(3,4)17-11-7-9-13-19(17)23(15)16(2)22(5,6)18-12-8-10-14-20(18)23/h7-16H,1-6H3
InChIKeyHJZSUHGSBXTHAV-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.83
Rot. Bonds

About 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]

1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene] (PubChem CID 18728941) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene].

Molecular Properties

Compound Name1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
PubChem CID18728941
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
SMILESCC1C(C)(C)c2ccccc2C12c1ccccc1C(C)(C)C2C
InChIInChI=1S/C23H28/c1-15-21(3,4)17-11-7-9-13-19(17)23(15)16(2)22(5,6)18-12-8-10-14-20(18)23/h7-16H,1-6H3
InChIKeyHJZSUHGSBXTHAV-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
CID 159411000
1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
CID 101271421
1,1,3,3-tetramethyl-2H-isoindole
CID 641027
1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile
CID 20675919
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
1-tert-butyl-2,3,3-trimethyl-2H-indole
CID 162296328
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 158531435
(2S)-2,3,3-trimethyl-2H-inden-1-one
CID 76958281
2-chloro-1,3,3-trimethyl-1,2-dihydroindene
CID 139835399
(2S)-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
CID 7103216

Frequently Asked Questions

What is the IUPAC name of 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]?
The IUPAC name of 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene] (CID 18728941) is 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene].
What is the SMILES notation for 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]?
The canonical SMILES for 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene] is CC1C(C)(C)c2ccccc2C12c1ccccc1C(C)(C)C2C.
What is the InChIKey of 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]?
The InChIKey is HJZSUHGSBXTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-15-21(3,4)17-11-7-9-13-19(17)23(15)16(2)22(5,6)18-12-8-10-14-20(18)23/h7-16H,1-6H3.
What are the key properties of 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]?
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene] has a molecular weight of 304.48 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene] is sourced from PubChem (CID 18728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).