[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid

C40H33BO2 — CID 142699767

IUPAC[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
SMILESCC1(C)c2cc(B(O)O)ccc2-c2ccc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C40H33BO2/c1-39(2)37-26-29(20-24-35(37)36-25-23-34(41(42)43)27-38(36)39)28-18-21-33(22-19-28)40(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-27,42-43H,1-2H3
InChIKeyCOGPJPMWFIINFH-UHFFFAOYSA-N
MW556.51 g/mol
LogP7.72
Rot. Bonds6

About [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid

[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid (PubChem CID 142699767) has the molecular formula C40H33BO2 and a molecular weight of 556.51 g/mol. Its IUPAC name is [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid.

Molecular Properties

Compound Name[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
PubChem CID142699767
Molecular FormulaC40H33BO2
Molecular Weight556.51 g/mol
Exact Mass556.26
IUPAC Name[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
SMILESCC1(C)c2cc(B(O)O)ccc2-c2ccc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C40H33BO2/c1-39(2)37-26-29(20-24-35(37)36-25-23-34(41(42)43)27-38(36)39)28-18-21-33(22-19-28)40(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-27,42-43H,1-2H3
InChIKeyCOGPJPMWFIINFH-UHFFFAOYSA-N
XLogP7.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.51
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
(7,9,9-trimethylfluoren-2-yl)boronic acid
CID 125469672
(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
CID 158916826
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid;ethene
CID 144631341
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid?
The IUPAC name of [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid (CID 142699767) is [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid.
What is the SMILES notation for [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid?
The canonical SMILES for [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid is CC1(C)c2cc(B(O)O)ccc2-c2ccc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid?
The InChIKey is COGPJPMWFIINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33BO2/c1-39(2)37-26-29(20-24-35(37)36-25-23-34(41(42)43)27-38(36)39)28-18-21-33(22-19-28)40(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-27,42-43H,1-2H3.
What are the key properties of [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid?
[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid has a molecular weight of 556.51 g/mol, XLogP of 7.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid is sourced from PubChem (CID 142699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).