1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole

C30H26BNO3 — CID 169059372

IUPAC1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1cccc2c1oc1cc(B3OC(C)(C)C(C)(C)O3)ccc12
InChIInChI=1S/C30H26BNO3/c1-29(2)30(3,4)35-31(34-29)19-16-17-22-23-12-9-15-26(28(23)33-27(22)18-19)32-24-13-7-5-10-20(24)21-11-6-8-14-25(21)32/h5-18H,1-4H3/i5D,6D,10D,11D,13D,14D
InChIKeyGGVRCCLGFYUGRM-WRPOWHSSSA-N
MW465.39 g/mol
LogP6.98
Rot. Bonds2

About 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole

1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 169059372) has the molecular formula C30H26BNO3 and a molecular weight of 465.39 g/mol. Its IUPAC name is 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID169059372
Molecular FormulaC30H26BNO3
Molecular Weight465.39 g/mol
Exact Mass465.24
IUPAC Name1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1cccc2c1oc1cc(B3OC(C)(C)C(C)(C)O3)ccc12
InChIInChI=1S/C30H26BNO3/c1-29(2)30(3,4)35-31(34-29)19-16-17-22-23-12-9-15-26(28(23)33-27(22)18-19)32-24-13-7-5-10-20(24)21-11-6-8-14-25(21)32/h5-18H,1-4H3/i5D,6D,10D,11D,13D,14D
InChIKeyGGVRCCLGFYUGRM-WRPOWHSSSA-N
XLogP6.98
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 56.98
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

1,3,4,5,6,8-hexadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 165165877
3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 163629404
4,4,5,5-tetramethyl-2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,2-dioxaborolane
CID 169059379
5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 176755164
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059426
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059490
2-(7-fluorodibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151271926
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole
CID 172525825
1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 177280461
9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole (CID 169059372) is 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1cccc2c1oc1cc(B3OC(C)(C)C(C)(C)O3)ccc12.
What is the InChIKey of 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is GGVRCCLGFYUGRM-WRPOWHSSSA-N. The full InChI is InChI=1S/C30H26BNO3/c1-29(2)30(3,4)35-31(34-29)19-16-17-22-23-12-9-15-26(28(23)33-27(22)18-19)32-24-13-7-5-10-20(24)21-11-6-8-14-25(21)32/h5-18H,1-4H3/i5D,6D,10D,11D,13D,14D.
What are the key properties of 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole?
1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 465.39 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 169059372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).