2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]

C44H36 — CID 58814373

IUPAC2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4cc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3)cc1C21CCCC1
InChIInChI=1S/C44H36/c1-3-11-39-35(9-1)37-19-17-33(27-41(37)43(39)21-5-6-22-43)31-15-13-30-26-32(16-14-29(30)25-31)34-18-20-38-36-10-2-4-12-40(36)44(42(38)28-34)23-7-8-24-44/h1-4,9-20,25-28H,5-8,21-24H2
InChIKeyLPAVPDLEIKWZKL-UHFFFAOYSA-N
MW564.77 g/mol
LogP11.85
Rot. Bonds2

About 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]

2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] (PubChem CID 58814373) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
PubChem CID58814373
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4cc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3)cc1C21CCCC1
InChIInChI=1S/C44H36/c1-3-11-39-35(9-1)37-19-17-33(27-41(37)43(39)21-5-6-22-43)31-15-13-30-26-32(16-14-29(30)25-31)34-18-20-38-36-10-2-4-12-40(36)44(42(38)28-34)23-7-8-24-44/h1-4,9-20,25-28H,5-8,21-24H2
InChIKeyLPAVPDLEIKWZKL-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] with MolForge

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Related Compounds

2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
CID 59282253
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 170924915
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
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
CID 166902546
CID 166902546
2',7'-bis(3-pyren-2-ylphenyl)spiro[cyclohexane-1,9'-fluorene]
CID 59217230

Frequently Asked Questions

What is the IUPAC name of 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] (CID 58814373) is 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] is c1ccc2c(c1)-c1ccc(-c3ccc4cc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3)cc1C21CCCC1.
What is the InChIKey of 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is LPAVPDLEIKWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36/c1-3-11-39-35(9-1)37-19-17-33(27-41(37)43(39)21-5-6-22-43)31-15-13-30-26-32(16-14-29(30)25-31)34-18-20-38-36-10-2-4-12-40(36)44(42(38)28-34)23-7-8-24-44/h1-4,9-20,25-28H,5-8,21-24H2.
What are the key properties of 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]?
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 564.77 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 58814373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).