4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

C36H29BO3 — CID 158470741

IUPAC4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3c(c2)oc2ccccc23)OC1(C)C
InChIInChI=1S/C36H29BO3/c1-35(2)36(3,4)40-37(39-35)23-20-30(34-29-15-9-10-16-32(29)38-33(34)21-23)22-17-18-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)31(28)19-22/h5-21H,1-4H3
InChIKeyTTWLYLDINRVBJL-UHFFFAOYSA-N
MW520.44 g/mol
LogP9.01
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (PubChem CID 158470741) has the molecular formula C36H29BO3 and a molecular weight of 520.44 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
PubChem CID158470741
Molecular FormulaC36H29BO3
Molecular Weight520.44 g/mol
Exact Mass520.22
IUPAC Name4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3c(c2)oc2ccccc23)OC1(C)C
InChIInChI=1S/C36H29BO3/c1-35(2)36(3,4)40-37(39-35)23-20-30(34-29-15-9-10-16-32(29)38-33(34)21-23)22-17-18-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)31(28)19-22/h5-21H,1-4H3
InChIKeyTTWLYLDINRVBJL-UHFFFAOYSA-N
XLogP9.01
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[9-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174110681
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 147449169
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
4,4,5,5-tetramethyl-2-(10-oxahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-21-yl)-1,3,2-dioxaborolane
CID 174079288
2-[4-[1-(1-dibenzofuran-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002794
2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 160756825
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
2-phenyl-14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 149196459
1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
CID 158232144

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (CID 158470741) is 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3c(c2)oc2ccccc23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The InChIKey is TTWLYLDINRVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29BO3/c1-35(2)36(3,4)40-37(39-35)23-20-30(34-29-15-9-10-16-32(29)38-33(34)21-23)22-17-18-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)31(28)19-22/h5-21H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane has a molecular weight of 520.44 g/mol, XLogP of 9.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158470741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).