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

C37H33BO2 — CID 140769877

IUPAC2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C
InChIInChI=1S/C37H33BO2/c1-35(2)36(3,4)40-38(39-35)34-22-14-12-19-29(34)26-23-24-31-30-20-11-13-21-32(30)37(33(31)25-26,27-15-7-5-8-16-27)28-17-9-6-10-18-28/h5-25H,1-4H3
InChIKeyATOVOVHVWBNBAU-UHFFFAOYSA-N
MW520.48 g/mol
LogP8.02
Rot. Bonds4

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

2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140769877) has the molecular formula C37H33BO2 and a molecular weight of 520.48 g/mol. Its IUPAC name is 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140769877
Molecular FormulaC37H33BO2
Molecular Weight520.48 g/mol
Exact Mass520.26
IUPAC Name2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C
InChIInChI=1S/C37H33BO2/c1-35(2)36(3,4)40-38(39-35)34-22-14-12-19-29(34)26-23-24-31-30-20-11-13-21-32(30)37(33(31)25-26,27-15-7-5-8-16-27)28-17-9-6-10-18-28/h5-25H,1-4H3
InChIKeyATOVOVHVWBNBAU-UHFFFAOYSA-N
XLogP8.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.48
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164817103
4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine
CID 142384799
2-[4-[3-[9-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]fluoren-9-yl]-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143873591
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142560920
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
2-(9,9-dimethylfluoren-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262142
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140769877) is 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C.
What is the InChIKey of 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ATOVOVHVWBNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33BO2/c1-35(2)36(3,4)40-38(39-35)34-22-14-12-19-29(34)26-23-24-31-30-20-11-13-21-32(30)37(33(31)25-26,27-15-7-5-8-16-27)28-17-9-6-10-18-28/h5-25H,1-4H3.
What are the key properties of 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 520.48 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140769877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).