1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole

C32H29BN2O2 — CID 90062551

IUPAC1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc4ccn(-c5ccccc5)c4cc2n3-c2ccccc2)OC1(C)C
InChIInChI=1S/C32H29BN2O2/c1-31(2)32(3,4)37-33(36-31)23-15-16-28-27(20-23)26-19-22-17-18-34(24-11-7-5-8-12-24)29(22)21-30(26)35(28)25-13-9-6-10-14-25/h5-21H,1-4H3
InChIKeyCQYNAENTPRACKX-UHFFFAOYSA-N
MW484.41 g/mol
LogP7.03
Rot. Bonds3

About 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole

1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole (PubChem CID 90062551) has the molecular formula C32H29BN2O2 and a molecular weight of 484.41 g/mol. Its IUPAC name is 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole
PubChem CID90062551
Molecular FormulaC32H29BN2O2
Molecular Weight484.41 g/mol
Exact Mass484.23
IUPAC Name1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc4ccn(-c5ccccc5)c4cc2n3-c2ccccc2)OC1(C)C
InChIInChI=1S/C32H29BN2O2/c1-31(2)32(3,4)37-33(36-31)23-15-16-28-27(20-23)26-19-22-17-18-34(24-11-7-5-8-12-24)29(22)21-30(26)35(28)25-13-9-6-10-14-25/h5-21H,1-4H3
InChIKeyCQYNAENTPRACKX-UHFFFAOYSA-N
XLogP7.03
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole?
The IUPAC name of 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole (CID 90062551) is 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole?
The canonical SMILES for 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole is CC1(C)OB(c2ccc3c(c2)c2cc4ccn(-c5ccccc5)c4cc2n3-c2ccccc2)OC1(C)C.
What is the InChIKey of 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole?
The InChIKey is CQYNAENTPRACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2/c1-31(2)32(3,4)37-33(36-31)23-15-16-28-27(20-23)26-19-22-17-18-34(24-11-7-5-8-12-24)29(22)21-30(26)35(28)25-13-9-6-10-14-25/h5-21H,1-4H3.
What are the key properties of 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole?
1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole has a molecular weight of 484.41 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90062551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).