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

C75H97BO2 — CID 87844763

IUPAC2-[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
SMILESCC[C@H](C)CC1(C[C@@H](C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5cc(B7OC(C)(C)C(C)(C)O7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H97BO2/c1-17-48(7)42-73(43-49(8)18-2)65-26-24-23-25-59(65)60-32-27-54(37-66(60)73)55-28-33-61-62-34-29-56(39-68(62)74(67(61)38-55,44-50(9)19-3)45-51(10)20-4)57-30-35-63-64-36-31-58(76-77-71(13,14)72(15,16)78-76)41-70(64)75(69(63)40-57,46-52(11)21-5)47-53(12)22-6/h23-41,48-53H,17-22,42-47H2,1-16H3/t48-,49-,50-,51-,52-,53-/m0/s1
InChIKeySUTOPXUNVDUBLM-PEEMADJISA-N
MW1041.41 g/mol
LogP20.74
Rot. Bonds21

About 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

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 (PubChem CID 87844763) has the molecular formula C75H97BO2 and a molecular weight of 1041.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID87844763
Molecular FormulaC75H97BO2
Molecular Weight1041.41 g/mol
Exact Mass1040.76
IUPAC Name2-[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
SMILESCC[C@H](C)CC1(C[C@@H](C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5cc(B7OC(C)(C)C(C)(C)O7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H97BO2/c1-17-48(7)42-73(43-49(8)18-2)65-26-24-23-25-59(65)60-32-27-54(37-66(60)73)55-28-33-61-62-34-29-56(39-68(62)74(67(61)38-55,44-50(9)19-3)45-51(10)20-4)57-30-35-63-64-36-31-58(76-77-71(13,14)72(15,16)78-76)41-70(64)75(69(63)40-57,46-52(11)21-5)47-53(12)22-6/h23-41,48-53H,17-22,42-47H2,1-16H3/t48-,49-,50-,51-,52-,53-/m0/s1
InChIKeySUTOPXUNVDUBLM-PEEMADJISA-N
XLogP20.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.41
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](C)CC1(C[C@@H](C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5cc(B7OC(C)(C)C(C)(C)O7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is SUTOPXUNVDUBLM-PEEMADJISA-N. The full InChI is InChI=1S/C75H97BO2/c1-17-48(7)42-73(43-49(8)18-2)65-26-24-23-25-59(65)60-32-27-54(37-66(60)73)55-28-33-61-62-34-29-56(39-68(62)74(67(61)38-55,44-50(9)19-3)45-51(10)20-4)57-30-35-63-64-36-31-58(76-77-71(13,14)72(15,16)78-76)41-70(64)75(69(63)40-57,46-52(11)21-5)47-53(12)22-6/h23-41,48-53H,17-22,42-47H2,1-16H3/t48-,49-,50-,51-,52-,53-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 1041.41 g/mol, XLogP of 20.74, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87844763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).