4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C56H60B3BrN2O8 — CID 160612021

IUPAC4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc(C=O)cc2)OC1(C)C.O=Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H24BNO3.C19H12BrNO.C12H24B2O4/c1-24(2)25(3,4)30-26(29-24)18-11-14-23-21(15-18)20-7-5-6-8-22(20)27(23)19-12-9-17(16-28)10-13-19;20-14-7-10-19-17(11-14)16-3-1-2-4-18(16)21(19)15-8-5-13(12-22)6-9-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-16H,1-4H3;1-12H;1-8H3
InChIKeyRFPOPAOKYKYHBZ-UHFFFAOYSA-N
MW1001.44 g/mol
LogP12.50
Rot. Bonds6

About 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160612021) has the molecular formula C56H60B3BrN2O8 and a molecular weight of 1001.44 g/mol. Its IUPAC name is 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID160612021
Molecular FormulaC56H60B3BrN2O8
Molecular Weight1001.44 g/mol
Exact Mass1000.38
IUPAC Name4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc(C=O)cc2)OC1(C)C.O=Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H24BNO3.C19H12BrNO.C12H24B2O4/c1-24(2)25(3,4)30-26(29-24)18-11-14-23-21(15-18)20-7-5-6-8-22(20)27(23)19-12-9-17(16-28)10-13-19;20-14-7-10-19-17(11-14)16-3-1-2-4-18(16)21(19)15-8-5-13(12-22)6-9-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-16H,1-4H3;1-12H;1-8H3
InChIKeyRFPOPAOKYKYHBZ-UHFFFAOYSA-N
XLogP12.50
TPSA99.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.44
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane 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-Benzoyl-11-(4-bromophenyl)-5-[4-(1,3,2-dioxaborolan-2-yl)phenyl]indolo[3,2-b]carbazol-9-yl]-phenylmethanone
CID 123613990
4-[6-Bromo-3-(6-bromo-9-phenylcarbazol-3-yl)-3,4,4a,9a-tetrahydrocarbazol-9-yl]benzaldehyde
CID 145163314
Dipotassium;3-bromo-9-phenylcarbazole;hydride;oxido formate;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 157108337
4-bromo-N,N-diphenylaniline;4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N,N-diphenylaniline;3,6-ditert-butyl-9-(4-hexylphenyl)carbazole;3,6-ditert-butyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157305999
CID 157402425
CID 157402425
3-(3-Bromophenyl)-9-phenylcarbazole;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157520796
CID 157531377
CID 157531377
3-Bromo-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157537111
CID 157736502
CID 157736502
Bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;3-bromo-9-(3,5-diphenylphenyl)carbazole;9-(3,5-diphenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157973788
CID 157977100
CID 157977100
4-(3-Bromocarbazol-9-yl)benzaldehyde;methane;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157997110

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160612021) is 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc(C=O)cc2)OC1(C)C.O=Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is RFPOPAOKYKYHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BNO3.C19H12BrNO.C12H24B2O4/c1-24(2)25(3,4)30-26(29-24)18-11-14-23-21(15-18)20-7-5-6-8-22(20)27(23)19-12-9-17(16-28)10-13-19;20-14-7-10-19-17(11-14)16-3-1-2-4-18(16)21(19)15-8-5-13(12-22)6-9-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-16H,1-4H3;1-12H;1-8H3.
What are the key properties of 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1001.44 g/mol, XLogP of 12.50, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocarbazol-9-yl)benzaldehyde;4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160612021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).