9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole

C36H30BNO3 — CID 156803722

IUPAC9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)OC1(C)C
InChIInChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)28-22-21-24(23-13-6-5-7-14-23)34-32(28)27-17-12-20-31(33(27)39-34)38-29-18-10-8-15-25(29)26-16-9-11-19-30(26)38/h5-22H,1-4H3
InChIKeyFYVFVICRVMSXAL-UHFFFAOYSA-N
MW535.45 g/mol
LogP8.65
Rot. Bonds3

About 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole

9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 156803722) has the molecular formula C36H30BNO3 and a molecular weight of 535.45 g/mol. Its IUPAC name is 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID156803722
Molecular FormulaC36H30BNO3
Molecular Weight535.45 g/mol
Exact Mass535.23
IUPAC Name9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)OC1(C)C
InChIInChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)28-22-21-24(23-13-6-5-7-14-23)34-32(28)27-17-12-20-31(33(27)39-34)38-29-18-10-8-15-25(29)26-16-9-11-19-30(26)38/h5-22H,1-4H3
InChIKeyFYVFVICRVMSXAL-UHFFFAOYSA-N
XLogP8.65
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156803724
9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
CID 59147591
3,24-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 174027067
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 147279415
4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole
CID 168807730
2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole
CID 158292157
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833

Frequently Asked Questions

What is the IUPAC name of 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole (CID 156803722) is 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole is CC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)OC1(C)C.
What is the InChIKey of 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is FYVFVICRVMSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)28-22-21-24(23-13-6-5-7-14-23)34-32(28)27-17-12-20-31(33(27)39-34)38-29-18-10-8-15-25(29)26-16-9-11-19-30(26)38/h5-22H,1-4H3.
What are the key properties of 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 535.45 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 156803722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).