1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]

C23H28 — CID 157166013

IUPAC1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
SMILESCc1cccc2c1C1(CC2(C)C)CC(C)(C)c2cccc(C)c21
InChIInChI=1S/C23H28/c1-15-9-7-11-17-19(15)23(13-21(17,3)4)14-22(5,6)18-12-8-10-16(2)20(18)23/h7-12H,13-14H2,1-6H3
InChIKeyFFNOUWALUCYJPC-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.95
Rot. Bonds

About 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]

1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene] (PubChem CID 157166013) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene].

Molecular Properties

Compound Name1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
PubChem CID157166013
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
SMILESCc1cccc2c1C1(CC2(C)C)CC(C)(C)c2cccc(C)c21
InChIInChI=1S/C23H28/c1-15-9-7-11-17-19(15)23(13-21(17,3)4)14-22(5,6)18-12-8-10-16(2)20(18)23/h7-12H,13-14H2,1-6H3
InChIKeyFFNOUWALUCYJPC-UHFFFAOYSA-N
XLogP5.95
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 ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]?
The IUPAC name of 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene] (CID 157166013) is 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene].
What is the SMILES notation for 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]?
The canonical SMILES for 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene] is Cc1cccc2c1C1(CC2(C)C)CC(C)(C)c2cccc(C)c21.
What is the InChIKey of 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]?
The InChIKey is FFNOUWALUCYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-15-9-7-11-17-19(15)23(13-21(17,3)4)14-22(5,6)18-12-8-10-16(2)20(18)23/h7-12H,13-14H2,1-6H3.
What are the key properties of 1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]?
1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene] has a molecular weight of 304.48 g/mol, XLogP of 5.95, 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',4,4'-hexamethyl-3,3'-spirobi[2H-indene] is sourced from PubChem (CID 157166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).