4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane

C51H40BF9O2 — CID 59512924

IUPAC4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(-c4ccc5c(c4)C(C)(C(F)(F)F)c4cc(-c6ccc7c(c6)C(C)(C(F)(F)F)c6ccccc6-7)ccc4-5)ccc2-3)OC1(C)C
InChIInChI=1S/C51H40BF9O2/c1-44(2)45(3,4)63-52(62-44)31-16-21-37-36-20-15-30(25-42(36)48(7,43(37)26-31)51(59,60)61)29-14-19-35-34-18-13-28(23-40(34)47(6,41(35)24-29)50(56,57)58)27-12-17-33-32-10-8-9-11-38(32)46(5,39(33)22-27)49(53,54)55/h8-26H,1-7H3
InChIKeyHAWXCNQEJYWFRO-UHFFFAOYSA-N
MW866.67 g/mol
LogP13.87
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane (PubChem CID 59512924) has the molecular formula C51H40BF9O2 and a molecular weight of 866.67 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane
PubChem CID59512924
Molecular FormulaC51H40BF9O2
Molecular Weight866.67 g/mol
Exact Mass866.30
IUPAC Name4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(-c4ccc5c(c4)C(C)(C(F)(F)F)c4cc(-c6ccc7c(c6)C(C)(C(F)(F)F)c6ccccc6-7)ccc4-5)ccc2-3)OC1(C)C
InChIInChI=1S/C51H40BF9O2/c1-44(2)45(3,4)63-52(62-44)31-16-21-37-36-20-15-30(25-42(36)48(7,43(37)26-31)51(59,60)61)29-14-19-35-34-18-13-28(23-40(34)47(6,41(35)24-29)50(56,57)58)27-12-17-33-32-10-8-9-11-38(32)46(5,39(33)22-27)49(53,54)55/h8-26H,1-7H3
InChIKeyHAWXCNQEJYWFRO-UHFFFAOYSA-N
XLogP13.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.67
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
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
4,4,5,5-tetramethyl-2-[7'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58174900
2-[7-[7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87844763
4,4,5,5-tetramethyl-2-(4-pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaenyl)-1,3,2-dioxaborolane
CID 140808883
4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-3-yl]-1,3,2-dioxaborolane
CID 153294242
4,4,5,5-tetramethyl-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,2-dioxaborolane
CID 155639948
3-chlorochrysene;3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]chrysene;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161471658
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
4,4,5,5-tetramethyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,3,2-dioxaborolane
CID 140873240

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane (CID 59512924) is 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(-c4ccc5c(c4)C(C)(C(F)(F)F)c4cc(-c6ccc7c(c6)C(C)(C(F)(F)F)c6ccccc6-7)ccc4-5)ccc2-3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane?
The InChIKey is HAWXCNQEJYWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40BF9O2/c1-44(2)45(3,4)63-52(62-44)31-16-21-37-36-20-15-30(25-42(36)48(7,43(37)26-31)51(59,60)61)29-14-19-35-34-18-13-28(23-40(34)47(6,41(35)24-29)50(56,57)58)27-12-17-33-32-10-8-9-11-38(32)46(5,39(33)22-27)49(53,54)55/h8-26H,1-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 866.67 g/mol, XLogP of 13.87, 3 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-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 59512924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).