2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]

C32H32 — CID 156896533

IUPAC2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H32/c1-30(2,3)20-14-16-24-25-17-15-21(31(4,5)6)19-29(25)32(28(24)18-20)26-12-8-7-10-22(26)23-11-9-13-27(23)32/h7-12,14-19H,13H2,1-6H3
InChIKeyXJVXZHRRZKZMTL-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.32
Rot. Bonds

About 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]

2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] (PubChem CID 156896533) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene].

Molecular Properties

Compound Name2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
PubChem CID156896533
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H32/c1-30(2,3)20-14-16-24-25-17-15-21(31(4,5)6)19-29(25)32(28(24)18-20)26-12-8-7-10-22(26)23-11-9-13-27(23)32/h7-12,14-19H,13H2,1-6H3
InChIKeyXJVXZHRRZKZMTL-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] with MolForge

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Related Compounds

spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
CID 145464381
CID 145464381
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
4-N-(6-methylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]-2'-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 145464393
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245
CID 174069072
CID 174069072
CID 156687680
CID 156687680
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The IUPAC name of 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] (CID 156896533) is 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene].
What is the SMILES notation for 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The canonical SMILES for 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] is CC(C)(C)c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The InChIKey is XJVXZHRRZKZMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-30(2,3)20-14-16-24-25-17-15-21(31(4,5)6)19-29(25)32(28(24)18-20)26-12-8-7-10-22(26)23-11-9-13-27(23)32/h7-12,14-19H,13H2,1-6H3.
What are the key properties of 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] has a molecular weight of 416.61 g/mol, XLogP of 8.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene] is sourced from PubChem (CID 156896533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).