2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]

C34H34 — CID 21023236

IUPAC2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]
SMILESC1=C(c2ccc(C3=Cc4ccccc4C34CCCCC4)cc2)C2(CCCCC2)c2ccccc21
InChIInChI=1S/C34H34/c1-7-19-33(20-8-1)29-13-5-3-11-27(29)23-31(33)25-15-17-26(18-16-25)32-24-28-12-4-6-14-30(28)34(32)21-9-2-10-22-34/h3-6,11-18,23-24H,1-2,7-10,19-22H2
InChIKeyQJEMUTIBWBXCAU-UHFFFAOYSA-N
MW442.65 g/mol
LogP9.20
Rot. Bonds2

About 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]

2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene] (PubChem CID 21023236) has the molecular formula C34H34 and a molecular weight of 442.65 g/mol. Its IUPAC name is 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene].

Molecular Properties

Compound Name2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]
PubChem CID21023236
Molecular FormulaC34H34
Molecular Weight442.65 g/mol
Exact Mass442.27
IUPAC Name2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]
SMILESC1=C(c2ccc(C3=Cc4ccccc4C34CCCCC4)cc2)C2(CCCCC2)c2ccccc21
InChIInChI=1S/C34H34/c1-7-19-33(20-8-1)29-13-5-3-11-27(29)23-31(33)25-15-17-26(18-16-25)32-24-28-12-4-6-14-30(28)34(32)21-9-2-10-22-34/h3-6,11-18,23-24H,1-2,7-10,19-22H2
InChIKeyQJEMUTIBWBXCAU-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]?
The IUPAC name of 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene] (CID 21023236) is 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene].
What is the SMILES notation for 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]?
The canonical SMILES for 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene] is C1=C(c2ccc(C3=Cc4ccccc4C34CCCCC4)cc2)C2(CCCCC2)c2ccccc21.
What is the InChIKey of 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]?
The InChIKey is QJEMUTIBWBXCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34/c1-7-19-33(20-8-1)29-13-5-3-11-27(29)23-31(33)25-15-17-26(18-16-25)32-24-28-12-4-6-14-30(28)34(32)21-9-2-10-22-34/h3-6,11-18,23-24H,1-2,7-10,19-22H2.
What are the key properties of 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene]?
2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene] has a molecular weight of 442.65 g/mol, XLogP of 9.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-spiro[cyclohexane-1,1'-indene]-2'-ylphenyl)spiro[cyclohexane-1,1'-indene] is sourced from PubChem (CID 21023236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).