2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]

C31H36 — CID 170924915

IUPAC2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C31H36/c1-29(2,3)23-17-22(18-24(20-23)30(4,5)6)21-13-14-26-25-11-7-8-12-27(25)31(28(26)19-21)15-9-10-16-31/h7-8,11-14,17-20H,9-10,15-16H2,1-6H3
InChIKeyZOMOQTRISXZETD-UHFFFAOYSA-N
MW408.63 g/mol
LogP8.79
Rot. Bonds1

About 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]

2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene] (PubChem CID 170924915) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
PubChem CID170924915
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C31H36/c1-29(2,3)23-17-22(18-24(20-23)30(4,5)6)21-13-14-26-25-11-7-8-12-27(25)31(28(26)19-21)15-9-10-16-31/h7-8,11-14,17-20H,9-10,15-16H2,1-6H3
InChIKeyZOMOQTRISXZETD-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
N,N-bis[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 159159081
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217313
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273

Frequently Asked Questions

What is the IUPAC name of 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene] (CID 170924915) is 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene] is CC(C)(C)c1cc(-c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc(C(C)(C)C)c1.
What is the InChIKey of 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is ZOMOQTRISXZETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36/c1-29(2,3)23-17-22(18-24(20-23)30(4,5)6)21-13-14-26-25-11-7-8-12-27(25)31(28(26)19-21)15-9-10-16-31/h7-8,11-14,17-20H,9-10,15-16H2,1-6H3.
What are the key properties of 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]?
2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 408.63 g/mol, XLogP of 8.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 170924915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).