[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene

C39H34BNO2 — CID 144558235

IUPAC[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(B(O)O)ccc2n3-c2ccccc2)ccc1C
InChIInChI=1S/C32H26BNO2.C7H8/c1-21-8-6-7-11-27(21)28-18-23(13-12-22(28)2)24-14-16-31-29(19-24)30-20-25(33(35)36)15-17-32(30)34(31)26-9-4-3-5-10-26;1-7-5-3-2-4-6-7/h3-20,35-36H,1-2H3;2-6H,1H3
InChIKeyKXOUCRSQKIDCDP-UHFFFAOYSA-N
MW559.52 g/mol
LogP8.41
Rot. Bonds4

About [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene

[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene (PubChem CID 144558235) has the molecular formula C39H34BNO2 and a molecular weight of 559.52 g/mol. Its IUPAC name is [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene.

Molecular Properties

Compound Name[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene
PubChem CID144558235
Molecular FormulaC39H34BNO2
Molecular Weight559.52 g/mol
Exact Mass559.27
IUPAC Name[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(B(O)O)ccc2n3-c2ccccc2)ccc1C
InChIInChI=1S/C32H26BNO2.C7H8/c1-21-8-6-7-11-27(21)28-18-23(13-12-22(28)2)24-14-16-31-29(19-24)30-20-25(33(35)36)15-17-32(30)34(31)26-9-4-3-5-10-26;1-7-5-3-2-4-6-7/h3-20,35-36H,1-2H3;2-6H,1H3
InChIKeyKXOUCRSQKIDCDP-UHFFFAOYSA-N
XLogP8.41
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.52
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene 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

(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
CID 70661114
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
CID 145108725
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
3-(4-methylnaphthalen-1-yl)-6,9-diphenylcarbazole
CID 156896770
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-methylbenzonitrile;3-[3-[4-methyl-3-(2-methylphenyl)phenyl]carbazol-9-yl]benzonitrile
CID 142362853
3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene
CID 145132549
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
buta-1,3-diene;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid
CID 145148607

Frequently Asked Questions

What is the IUPAC name of [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene?
The IUPAC name of [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene (CID 144558235) is [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene.
What is the SMILES notation for [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene?
The canonical SMILES for [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene is Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(B(O)O)ccc2n3-c2ccccc2)ccc1C.
What is the InChIKey of [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene?
The InChIKey is KXOUCRSQKIDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26BNO2.C7H8/c1-21-8-6-7-11-27(21)28-18-23(13-12-22(28)2)24-14-16-31-29(19-24)30-20-25(33(35)36)15-17-32(30)34(31)26-9-4-3-5-10-26;1-7-5-3-2-4-6-7/h3-20,35-36H,1-2H3;2-6H,1H3.
What are the key properties of [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene?
[6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene has a molecular weight of 559.52 g/mol, XLogP of 8.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]boronic acid;toluene is sourced from PubChem (CID 144558235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).