2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C38H41BO2 — CID 66721808

IUPAC2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)cc1-2
InChIInChI=1S/C38H41BO2/c1-22-17-28-29-18-23(2)34(39-40-37(7,8)38(9,10)41-39)21-33(29)36(5,6)32(28)20-27(22)24-15-16-26-25-13-11-12-14-30(25)35(3,4)31(26)19-24/h11-21H,1-10H3
InChIKeyDZFJRMLJSUXBOT-UHFFFAOYSA-N
MW540.56 g/mol
LogP8.88
Rot. Bonds2

About 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 66721808) has the molecular formula C38H41BO2 and a molecular weight of 540.56 g/mol. Its IUPAC name is 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID66721808
Molecular FormulaC38H41BO2
Molecular Weight540.56 g/mol
Exact Mass540.32
IUPAC Name2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)cc1-2
InChIInChI=1S/C38H41BO2/c1-22-17-28-29-18-23(2)34(39-40-37(7,8)38(9,10)41-39)21-33(29)36(5,6)32(28)20-27(22)24-15-16-26-25-13-11-12-14-30(25)35(3,4)31(26)19-24/h11-21H,1-10H3
InChIKeyDZFJRMLJSUXBOT-UHFFFAOYSA-N
XLogP8.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 58.88
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

3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2-[6-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88889202
2-(9,9-dimethylfluoren-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262142
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
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
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-N-(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
CID 164550724
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 66721808) is 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)cc1-2.
What is the InChIKey of 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DZFJRMLJSUXBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41BO2/c1-22-17-28-29-18-23(2)34(39-40-37(7,8)38(9,10)41-39)21-33(29)36(5,6)32(28)20-27(22)24-15-16-26-25-13-11-12-14-30(25)35(3,4)31(26)19-24/h11-21H,1-10H3.
What are the key properties of 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 540.56 g/mol, XLogP of 8.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 66721808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).