2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C33H33BO2 — CID 153370184

IUPAC2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)cc3)cccc21
InChIInChI=1S/C33H33BO2/c1-31(2)28-15-8-7-13-27(28)30-26(14-10-16-29(30)31)23-19-17-22(18-20-23)24-11-9-12-25(21-24)34-35-32(3,4)33(5,6)36-34/h7-21H,1-6H3
InChIKeyMGCGCTMNEKOQFP-UHFFFAOYSA-N
MW472.44 g/mol
LogP7.63
Rot. Bonds3

About 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 153370184) has the molecular formula C33H33BO2 and a molecular weight of 472.44 g/mol. Its IUPAC name is 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID153370184
Molecular FormulaC33H33BO2
Molecular Weight472.44 g/mol
Exact Mass472.26
IUPAC Name2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)cc3)cccc21
InChIInChI=1S/C33H33BO2/c1-31(2)28-15-8-7-13-27(28)30-26(14-10-16-29(30)31)23-19-17-22(18-20-23)24-11-9-12-25(21-24)34-35-32(3,4)33(5,6)36-34/h7-21H,1-6H3
InChIKeyMGCGCTMNEKOQFP-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 57.63
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-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145436463
2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane
CID 165042923
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
2-[3-(4-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151259521
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4,4,5,5-tetramethyl-2-[3-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-3-yl)phenyl]-1,3,2-dioxaborolane
CID 140845280
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 153370184) is 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)cc3)cccc21.
What is the InChIKey of 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MGCGCTMNEKOQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33BO2/c1-31(2)28-15-8-7-13-27(28)30-26(14-10-16-29(30)31)23-19-17-22(18-20-23)24-11-9-12-25(21-24)34-35-32(3,4)33(5,6)36-34/h7-21H,1-6H3.
What are the key properties of 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 472.44 g/mol, XLogP of 7.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 153370184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).