1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

C36H32BNO2 — CID 150282563

IUPAC1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
SMILESCC1(C)OB(c2ccc3[nH]c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)cc4c3c2)OC1(C)C
InChIInChI=1S/C36H32BNO2/c1-35(2)36(3,4)40-37(39-35)27-20-21-31-29(22-27)30-23-28(24-14-8-5-9-15-24)32(25-16-10-6-11-17-25)33(34(30)38-31)26-18-12-7-13-19-26/h5-23,38H,1-4H3
InChIKeyGFXAQGWQMHWVRT-UHFFFAOYSA-N
MW521.47 g/mol
LogP8.62
Rot. Bonds4

About 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (PubChem CID 150282563) has the molecular formula C36H32BNO2 and a molecular weight of 521.47 g/mol. Its IUPAC name is 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.

Molecular Properties

Compound Name1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
PubChem CID150282563
Molecular FormulaC36H32BNO2
Molecular Weight521.47 g/mol
Exact Mass521.25
IUPAC Name1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
SMILESCC1(C)OB(c2ccc3[nH]c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)cc4c3c2)OC1(C)C
InChIInChI=1S/C36H32BNO2/c1-35(2)36(3,4)40-37(39-35)27-20-21-31-29(22-27)30-23-28(24-14-8-5-9-15-24)32(25-16-10-6-11-17-25)33(34(30)38-31)26-18-12-7-13-19-26/h5-23,38H,1-4H3
InChIKeyGFXAQGWQMHWVRT-UHFFFAOYSA-N
XLogP8.62
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-3-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 123777717
11-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indolizino[2,3-b]indole
CID 142731237
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-3-azahexacyclo[11.9.0.02,10.04,9.014,19.020,22]docosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144904781
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
CID 151324899
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
2-chloro-4,7-diphenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline;2,9-dichloro-4,7-diphenyl-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
CID 162211861
2-[6,12-bis(2,6-dimethylphenyl)chrysen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58501190
2-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(2,4,6-triphenylphenyl)phenyl]-1,3,5-triazine
CID 156903755
4-phenyl-6-[4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolin-6-yl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 58789449
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The IUPAC name of 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CID 150282563) is 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.
What is the SMILES notation for 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The canonical SMILES for 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is CC1(C)OB(c2ccc3[nH]c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)cc4c3c2)OC1(C)C.
What is the InChIKey of 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
The InChIKey is GFXAQGWQMHWVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32BNO2/c1-35(2)36(3,4)40-37(39-35)27-20-21-31-29(22-27)30-23-28(24-14-8-5-9-15-24)32(25-16-10-6-11-17-25)33(34(30)38-31)26-18-12-7-13-19-26/h5-23,38H,1-4H3.
What are the key properties of 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole?
1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole has a molecular weight of 521.47 g/mol, XLogP of 8.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is sourced from PubChem (CID 150282563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).