9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole

C34H27NS — CID 153490596

IUPAC9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)c(C(C)(C)C)c4c23)c([2H])c1[2H]
InChIInChI=1S/C34H27NS/c1-34(2,3)33-28(35-26-17-9-7-14-24(26)25-15-8-10-18-27(25)35)20-21-30-32(33)31-23(16-11-19-29(31)36-30)22-12-5-4-6-13-22/h4-21H,1-3H3/i4D,5D,6D,12D,13D
InChIKeyWANGRAAYELKKPX-RQWUDOQSSA-N
MW486.69 g/mol
LogP10.12
Rot. Bonds2

About 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole

9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 153490596) has the molecular formula C34H27NS and a molecular weight of 486.69 g/mol. Its IUPAC name is 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
PubChem CID153490596
Molecular FormulaC34H27NS
Molecular Weight486.69 g/mol
Exact Mass486.22
IUPAC Name9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)c(C(C)(C)C)c4c23)c([2H])c1[2H]
InChIInChI=1S/C34H27NS/c1-34(2,3)33-28(35-26-17-9-7-14-24(26)25-15-8-10-18-27(25)35)20-21-30-32(33)31-23(16-11-19-29(31)36-30)22-12-5-4-6-13-22/h4-21H,1-3H3/i4D,5D,6D,12D,13D
InChIKeyWANGRAAYELKKPX-RQWUDOQSSA-N
XLogP10.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 177077367
[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
CID 168762689
2-carbazol-9-yl-6-dibenzothiophen-1-yl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 170532855
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole
CID 159023225
3-[9-(3-isocyanophenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazole
CID 177077279
3-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazole
CID 177077284
9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
CID 158503145
1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-phenyldibenzothiophene;1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene;1-tert-butyl-9-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzothiophene
CID 165109798
8-[4-tert-butyl-2,6-di(dibenzothiophen-1-yl)phenyl]-14-(4-tert-butyl-2,6-diphenylphenyl)-11-carbazol-9-yl-17-(3,5-ditert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 171596211
2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole
CID 170517861
9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 163457521

Frequently Asked Questions

What is the IUPAC name of 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole (CID 153490596) is 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)c(C(C)(C)C)c4c23)c([2H])c1[2H].
What is the InChIKey of 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The InChIKey is WANGRAAYELKKPX-RQWUDOQSSA-N. The full InChI is InChI=1S/C34H27NS/c1-34(2,3)33-28(35-26-17-9-7-14-24(26)25-15-8-10-18-27(25)35)20-21-30-32(33)31-23(16-11-19-29(31)36-30)22-12-5-4-6-13-22/h4-21H,1-3H3/i4D,5D,6D,12D,13D.
What are the key properties of 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole has a molecular weight of 486.69 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 153490596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).