[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid

C43H32BNO3 — CID 140857089

IUPAC[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3oc3cccc(B(O)O)c34)ccc21
InChIInChI=1S/C43H32BNO3/c1-43(2)35-19-7-6-14-31(35)34-26-28(24-25-36(34)43)45(38-21-9-16-30-29(15-8-17-32(30)38)27-12-4-3-5-13-27)39-22-10-18-33-41-37(44(46)47)20-11-23-40(41)48-42(33)39/h3-26,46-47H,1-2H3
InChIKeyCCLHVLSFPFVIBV-UHFFFAOYSA-N
MW621.55 g/mol
LogP9.86
Rot. Bonds5

About [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid

[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid (PubChem CID 140857089) has the molecular formula C43H32BNO3 and a molecular weight of 621.55 g/mol. Its IUPAC name is [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid.

Molecular Properties

Compound Name[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid
PubChem CID140857089
Molecular FormulaC43H32BNO3
Molecular Weight621.55 g/mol
Exact Mass621.25
IUPAC Name[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3oc3cccc(B(O)O)c34)ccc21
InChIInChI=1S/C43H32BNO3/c1-43(2)35-19-7-6-14-31(35)34-26-28(24-25-36(34)43)45(38-21-9-16-30-29(15-8-17-32(30)38)27-12-4-3-5-13-27)39-22-10-18-33-41-37(44(46)47)20-11-23-40(41)48-42(33)39/h3-26,46-47H,1-2H3
InChIKeyCCLHVLSFPFVIBV-UHFFFAOYSA-N
XLogP9.86
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.55
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid 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

N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90125929
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-4-amine
CID 134393027
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332

Frequently Asked Questions

What is the IUPAC name of [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid?
The IUPAC name of [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid (CID 140857089) is [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid.
What is the SMILES notation for [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid?
The canonical SMILES for [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid is CC1(C)c2ccccc2-c2cc(N(c3cccc4c(-c5ccccc5)cccc34)c3cccc4c3oc3cccc(B(O)O)c34)ccc21.
What is the InChIKey of [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid?
The InChIKey is CCLHVLSFPFVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32BNO3/c1-43(2)35-19-7-6-14-31(35)34-26-28(24-25-36(34)43)45(38-21-9-16-30-29(15-8-17-32(30)38)27-12-4-3-5-13-27)39-22-10-18-33-41-37(44(46)47)20-11-23-40(41)48-42(33)39/h3-26,46-47H,1-2H3.
What are the key properties of [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid?
[6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid has a molecular weight of 621.55 g/mol, XLogP of 9.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(9,9-dimethylfluoren-3-yl)-(5-phenylnaphthalen-1-yl)amino]dibenzofuran-1-yl]boronic acid is sourced from PubChem (CID 140857089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).