4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

C34H27BO4 — CID 163601505

IUPAC4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc23)OC1(C)C
InChIInChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)23-12-14-25-27-17-21(10-15-29(27)36-31(25)19-23)22-11-16-30-28(18-22)26-13-9-20-7-5-6-8-24(20)32(26)37-30/h5-19H,1-4H3
InChIKeyCTGGLSGARQVRKF-UHFFFAOYSA-N
MW510.40 g/mol
LogP8.60
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (PubChem CID 163601505) has the molecular formula C34H27BO4 and a molecular weight of 510.40 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
PubChem CID163601505
Molecular FormulaC34H27BO4
Molecular Weight510.40 g/mol
Exact Mass510.20
IUPAC Name4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)oc2ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc23)OC1(C)C
InChIInChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)23-12-14-25-27-17-21(10-15-29(27)36-31(25)19-23)22-11-16-30-28(18-22)26-13-9-20-7-5-6-8-24(20)32(26)37-30/h5-19H,1-4H3
InChIKeyCTGGLSGARQVRKF-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'}

Analyze 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyl-2-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-1,3,2-dioxaborolane
CID 177271256
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
4,4,5,5-tetramethyl-2-(6-naphtho[2,3-b][1]benzofuran-9-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(7-naphtho[3,2-b][1]benzofuran-8-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[7,6-b][1]benzofuran-7-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158464335
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-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
2-[3-(4-dibenzofuran-2-yl-6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169039936
2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009424
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane (CID 163601505) is 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)oc2ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
The InChIKey is CTGGLSGARQVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27BO4/c1-33(2)34(3,4)39-35(38-33)23-12-14-25-27-17-21(10-15-29(27)36-31(25)19-23)22-11-16-30-28(18-22)26-13-9-20-7-5-6-8-24(20)32(26)37-30/h5-19H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-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-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 163601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).