4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

C34H27BO4 — CID 147449169

IUPAC4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2cccc(-c4c5ccccc5cc5oc6ccccc6c45)c23)OC1(C)C
InChIInChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)21-16-17-24-28(19-21)37-27-15-9-13-25(30(24)27)31-22-11-6-5-10-20(22)18-29-32(31)23-12-7-8-14-26(23)36-29/h5-19H,1-4H3
InChIKeyDXSOHFPKBUWILF-UHFFFAOYSA-N
MW510.40 g/mol
LogP8.60
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (PubChem CID 147449169) has the molecular formula C34H27BO4 and a molecular weight of 510.40 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
PubChem CID147449169
Molecular FormulaC34H27BO4
Molecular Weight510.40 g/mol
Exact Mass510.20
IUPAC Name4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2cccc(-c4c5ccccc5cc5oc6ccccc6c45)c23)OC1(C)C
InChIInChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)21-16-17-24-28(19-21)37-27-15-9-13-25(30(24)27)31-22-11-6-5-10-20(22)18-29-32(31)23-12-7-8-14-26(23)36-29/h5-19H,1-4H3
InChIKeyDXSOHFPKBUWILF-UHFFFAOYSA-N
XLogP8.60
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.40
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(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
4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane
CID 166501631
4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158470741
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
4,4,5,5-tetramethyl-2-(2-naphthalen-1-yl-3-phenyl-1-benzofuran-6-yl)-1,3,2-dioxaborolane
CID 177271918
4,4,5,5-tetramethyl-2-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-17-yl)-1,3,2-dioxaborolane
CID 174079232
CID 160737271
CID 160737271
2-(3-chloronaphtho[3,2-b][1]benzofuran-11-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162703708
9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
2-[4-[1-(1-dibenzofuran-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002794

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (CID 147449169) is 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)oc2cccc(-c4c5ccccc5cc5oc6ccccc6c45)c23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The InChIKey is DXSOHFPKBUWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)21-16-17-24-28(19-21)37-27-15-9-13-25(30(24)27)31-22-11-6-5-10-20(22)18-29-32(31)23-12-7-8-14-26(23)36-29/h5-19H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane has a molecular weight of 510.40 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 147449169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).