2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C37H31BO4 — CID 142560920

IUPAC2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(c2ccccc2)c2ccccc2)O3)OC1(C)C
InChIInChI=1S/C37H31BO4/c1-35(2)36(3,4)42-38(41-35)29-20-13-21-30-33(29)40-34-31(39-30)23-22-28-32(34)26-18-11-12-19-27(26)37(28,24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-23H,1-4H3
InChIKeyYWRVBJLVHWAHHR-UHFFFAOYSA-N
MW550.46 g/mol
LogP8.25
Rot. Bonds3

About 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142560920) has the molecular formula C37H31BO4 and a molecular weight of 550.46 g/mol. Its IUPAC name is 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142560920
Molecular FormulaC37H31BO4
Molecular Weight550.46 g/mol
Exact Mass550.23
IUPAC Name2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(c2ccccc2)c2ccccc2)O3)OC1(C)C
InChIInChI=1S/C37H31BO4/c1-35(2)36(3,4)42-38(41-35)29-20-13-21-30-33(29)40-34-31(39-30)23-22-28-32(34)26-18-11-12-19-27(26)37(28,24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-23H,1-4H3
InChIKeyYWRVBJLVHWAHHR-UHFFFAOYSA-N
XLogP8.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.46
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-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

2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140769877
3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 167340465
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138575034
8-[5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 147825435
2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
CID 138576055
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142560920) is 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(c2ccccc2)c2ccccc2)O3)OC1(C)C.
What is the InChIKey of 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YWRVBJLVHWAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31BO4/c1-35(2)36(3,4)42-38(41-35)29-20-13-21-30-33(29)40-34-31(39-30)23-22-28-32(34)26-18-11-12-19-27(26)37(28,24-14-7-5-8-15-24)25-16-9-6-10-17-25/h5-23H,1-4H3.
What are the key properties of 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 550.46 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142560920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).