4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane

C27H29BO2 — CID 147149825

IUPAC4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane
SMILESCC1C=Cc2c(c(-c3ccccc3)c3ccccc3c2B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C27H29BO2/c1-18-15-16-22-23(17-18)24(19-11-7-6-8-12-19)20-13-9-10-14-21(20)25(22)28-29-26(2,3)27(4,5)30-28/h6-16,18H,17H2,1-5H3
InChIKeyBTTVBGAVFSFIGD-UHFFFAOYSA-N
MW396.34 g/mol
LogP6.01
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane (PubChem CID 147149825) has the molecular formula C27H29BO2 and a molecular weight of 396.34 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane
PubChem CID147149825
Molecular FormulaC27H29BO2
Molecular Weight396.34 g/mol
Exact Mass396.23
IUPAC Name4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane
SMILESCC1C=Cc2c(c(-c3ccccc3)c3ccccc3c2B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C27H29BO2/c1-18-15-16-22-23(17-18)24(19-11-7-6-8-12-19)20-13-9-10-14-21(20)25(22)28-29-26(2,3)27(4,5)30-28/h6-16,18H,17H2,1-5H3
InChIKeyBTTVBGAVFSFIGD-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.34
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
4,4,5,5-tetramethyl-2-[10-(4-methylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 58836110
4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]benzonitrile
CID 140824444
2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole
CID 167023241
9,10-dibromophenanthrene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160800923
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353452
3-methyl-12-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-[1]benzofuro[2,3-a]carbazole
CID 147834563
2-[4-[4-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90295397
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]-1,3,5-triazine
CID 163425241
2-(3,5-diphenyl-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177094722
5-bromo-2,3-dihydroinden-1-one;5-[4-(10-phenylanthracen-9-yl)phenyl]-2,3-dihydroinden-1-one;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
CID 159508189

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane (CID 147149825) is 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane is CC1C=Cc2c(c(-c3ccccc3)c3ccccc3c2B2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane?
The InChIKey is BTTVBGAVFSFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BO2/c1-18-15-16-22-23(17-18)24(19-11-7-6-8-12-19)20-13-9-10-14-21(20)25(22)28-29-26(2,3)27(4,5)30-28/h6-16,18H,17H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane has a molecular weight of 396.34 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 147149825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).