[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid

C43H31BN2O3 — CID 144782167

IUPAC[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid
SMILESCC1Cc2c(c3ccccc3n2-c2cccc3c2oc2c(B(O)O)cccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H31BN2O3/c1-26-23-41-35(25-33(26)27-21-22-39-34(24-27)29-13-5-7-18-37(29)45(39)28-11-3-2-4-12-28)30-14-6-8-19-38(30)46(41)40-20-10-16-32-31-15-9-17-36(44(47)48)42(31)49-43(32)40/h2-22,24-26,47-48H,23H2,1H3
InChIKeyHSJTYDNGSUDYNI-UHFFFAOYSA-N
MW634.54 g/mol
LogP9.04
Rot. Bonds4

About [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid

[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid (PubChem CID 144782167) has the molecular formula C43H31BN2O3 and a molecular weight of 634.54 g/mol. Its IUPAC name is [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid.

Molecular Properties

Compound Name[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid
PubChem CID144782167
Molecular FormulaC43H31BN2O3
Molecular Weight634.54 g/mol
Exact Mass634.24
IUPAC Name[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid
SMILESCC1Cc2c(c3ccccc3n2-c2cccc3c2oc2c(B(O)O)cccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H31BN2O3/c1-26-23-41-35(25-33(26)27-21-22-39-34(24-27)29-13-5-7-18-37(29)45(39)28-11-3-2-4-12-28)30-14-6-8-19-38(30)46(41)40-20-10-16-32-31-15-9-17-36(44(47)48)42(31)49-43(32)40/h2-22,24-26,47-48H,23H2,1H3
InChIKeyHSJTYDNGSUDYNI-UHFFFAOYSA-N
XLogP9.04
TPSA63.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.54
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole
CID 129263939
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
CID 145218205
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
9-dibenzofuran-4-yl-3-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 159339879
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
CID 70661114
cyclopropyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]borinic acid
CID 145017209
3-[9-(3-ethylidene-2-methylidene-1-benzofuran-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 123494702
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904

Frequently Asked Questions

What is the IUPAC name of [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid?
The IUPAC name of [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid (CID 144782167) is [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid.
What is the SMILES notation for [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid?
The canonical SMILES for [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid is CC1Cc2c(c3ccccc3n2-c2cccc3c2oc2c(B(O)O)cccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid?
The InChIKey is HSJTYDNGSUDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31BN2O3/c1-26-23-41-35(25-33(26)27-21-22-39-34(24-27)29-13-5-7-18-37(29)45(39)28-11-3-2-4-12-28)30-14-6-8-19-38(30)46(41)40-20-10-16-32-31-15-9-17-36(44(47)48)42(31)49-43(32)40/h2-22,24-26,47-48H,23H2,1H3.
What are the key properties of [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid?
[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid has a molecular weight of 634.54 g/mol, XLogP of 9.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid is sourced from PubChem (CID 144782167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).