2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane

C31H25BO2 — CID 88944004

IUPAC2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
SMILESC=C1OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C
InChIInChI=1S/C31H25BO2/c1-21-31(2,3)34-32(33-21)24-18-19-27-28(20-24)30(23-14-8-5-9-15-23)26-17-11-10-16-25(26)29(27)22-12-6-4-7-13-22/h4-20H,1H2,2-3H3
InChIKeyRTWGAYRZVLDXKZ-UHFFFAOYSA-N
MW440.35 g/mol
LogP7.36
Rot. Bonds3

About 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane

2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane (PubChem CID 88944004) has the molecular formula C31H25BO2 and a molecular weight of 440.35 g/mol. Its IUPAC name is 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
PubChem CID88944004
Molecular FormulaC31H25BO2
Molecular Weight440.35 g/mol
Exact Mass440.19
IUPAC Name2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
SMILESC=C1OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C
InChIInChI=1S/C31H25BO2/c1-21-31(2,3)34-32(33-21)24-18-19-27-28(20-24)30(23-14-8-5-9-15-23)26-17-11-10-16-25(26)29(27)22-12-6-4-7-13-22/h4-20H,1H2,2-3H3
InChIKeyRTWGAYRZVLDXKZ-UHFFFAOYSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
CID 89097531
2-[8-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)chrysen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88553179
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane
CID 88927435
14-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 89391838
3-[3-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 70670361
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
4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine
CID 164819294
4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-N,N-bis(4-methylphenyl)aniline
CID 88986134
3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole
CID 89233230
2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
CID 162211861
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353452
4,4,5,5-tetramethyl-2-(2-naphthalen-1-yl-3-phenyl-1-benzofuran-6-yl)-1,3,2-dioxaborolane
CID 177271918

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane?
The IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane (CID 88944004) is 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane?
The canonical SMILES for 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane is C=C1OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C.
What is the InChIKey of 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane?
The InChIKey is RTWGAYRZVLDXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25BO2/c1-21-31(2,3)34-32(33-21)24-18-19-27-28(20-24)30(23-14-8-5-9-15-23)26-17-11-10-16-25(26)29(27)22-12-6-4-7-13-22/h4-20H,1H2,2-3H3.
What are the key properties of 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane?
2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane has a molecular weight of 440.35 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane is sourced from PubChem (CID 88944004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).