4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane

C34H35BO2 — CID 171832563

IUPAC4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3c2)OC1(C)C
InChIInChI=1S/C34H35BO2/c1-32(2)33(3,4)37-35(36-32)25-20-23-12-6-7-13-26(23)29(22-25)24-16-17-28-27-14-8-9-15-30(27)34(31(28)21-24)18-10-5-11-19-34/h6-9,12-17,20-22H,5,10-11,18-19H2,1-4H3
InChIKeyCVJMKTSNVQLEFJ-UHFFFAOYSA-N
MW486.46 g/mol
LogP8.04
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 171832563) has the molecular formula C34H35BO2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID171832563
Molecular FormulaC34H35BO2
Molecular Weight486.46 g/mol
Exact Mass486.27
IUPAC Name4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3c2)OC1(C)C
InChIInChI=1S/C34H35BO2/c1-32(2)33(3,4)37-35(36-32)25-20-23-12-6-7-13-26(23)29(22-25)24-16-17-28-27-14-8-9-15-30(27)34(31(28)21-24)18-10-5-11-19-34/h6-9,12-17,20-22H,5,10-11,18-19H2,1-4H3
InChIKeyCVJMKTSNVQLEFJ-UHFFFAOYSA-N
XLogP8.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162519746
4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58793126
2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 163282014
2-[4-(3-chlorophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 158375785
8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
CID 59282253
2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 161055745
2-(9',9'-dimethylspiro[cyclohexane-1,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162519765
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165019998
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane (CID 171832563) is 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc3c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is CVJMKTSNVQLEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BO2/c1-32(2)33(3,4)37-35(36-32)25-20-23-12-6-7-13-26(23)29(22-25)24-16-17-28-27-14-8-9-15-30(27)34(31(28)21-24)18-10-5-11-19-34/h6-9,12-17,20-22H,5,10-11,18-19H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 486.46 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 171832563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).