1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole

C36H31BN2O2 — CID 66924192

IUPAC1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole
SMILESCC1(C)OB(c2cc(-c3cccc4c3[nH]c3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-20-23(26-15-11-16-30-27-12-5-8-17-31(27)38-34(26)30)21-25(22-24)39-32-18-9-6-13-28(32)29-14-7-10-19-33(29)39/h5-22,38H,1-4H3
InChIKeyCQUBUPIOFQBNKZ-UHFFFAOYSA-N
MW534.47 g/mol
LogP8.38
Rot. Bonds3

About 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole

1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole (PubChem CID 66924192) has the molecular formula C36H31BN2O2 and a molecular weight of 534.47 g/mol. Its IUPAC name is 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole
PubChem CID66924192
Molecular FormulaC36H31BN2O2
Molecular Weight534.47 g/mol
Exact Mass534.25
IUPAC Name1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole
SMILESCC1(C)OB(c2cc(-c3cccc4c3[nH]c3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-20-23(26-15-11-16-30-27-12-5-8-17-31(27)38-34(26)30)21-25(22-24)39-32-18-9-6-13-28(32)29-14-7-10-19-33(29)39/h5-22,38H,1-4H3
InChIKeyCQUBUPIOFQBNKZ-UHFFFAOYSA-N
XLogP8.38
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.47
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole 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

3,9'-Bicarbazole
CID 13236022
1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11291454
3,3',3''-Methylidynetris(2-methylindole)
CID 253631
Bis(2-phenylindol-3-yl)methane
CID 11003858
9-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole
CID 11850073
9,3':6',9''-Ter-9H-carbazole
CID 12103890
9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 12177223
3,3'-Bicarbazole
CID 12462601
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
9-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole
CID 58690899
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 67070134
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634

Frequently Asked Questions

What is the IUPAC name of 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole?
The IUPAC name of 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole (CID 66924192) is 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole?
The canonical SMILES for 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole is CC1(C)OB(c2cc(-c3cccc4c3[nH]c3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.
What is the InChIKey of 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole?
The InChIKey is CQUBUPIOFQBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-20-23(26-15-11-16-30-27-12-5-8-17-31(27)38-34(26)30)21-25(22-24)39-32-18-9-6-13-28(32)29-14-7-10-19-33(29)39/h5-22,38H,1-4H3.
What are the key properties of 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole?
1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole has a molecular weight of 534.47 g/mol, XLogP of 8.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 66924192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).