9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole

C33H35N — CID 167345490

IUPAC9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4C(C)(C)C)c23)c([2H])c1[2H]
InChIInChI=1S/C33H35N/c1-32(2,3)27-19-13-21-29(30(27)33(4,5)6)34-28-20-11-10-17-25(28)26-18-12-16-24(31(26)34)22-23-14-8-7-9-15-23/h7-21H,22H2,1-6H3/i7D,8D,9D,14D,15D
InChIKeyOCFATVUMACBASQ-CFPNEJFESA-N
MW450.68 g/mol
LogP8.97
Rot. Bonds3

About 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole

9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole (PubChem CID 167345490) has the molecular formula C33H35N and a molecular weight of 450.68 g/mol. Its IUPAC name is 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole.

Molecular Properties

Compound Name9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
PubChem CID167345490
Molecular FormulaC33H35N
Molecular Weight450.68 g/mol
Exact Mass450.31
IUPAC Name9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4C(C)(C)C)c23)c([2H])c1[2H]
InChIInChI=1S/C33H35N/c1-32(2,3)27-19-13-21-29(30(27)33(4,5)6)34-28-20-11-10-17-25(28)26-18-12-16-24(31(26)34)22-23-14-8-7-9-15-23/h7-21H,22H2,1-6H3/i7D,8D,9D,14D,15D
InChIKeyOCFATVUMACBASQ-CFPNEJFESA-N
XLogP8.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.68
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
CID 167345523
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
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole;methane
CID 159595531
9-[1-tert-butyl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 153490596
1-tert-butyl-9-(4-tert-butylphenyl)carbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;1-tert-butyl-9-(4-phenylphenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(3,5-ditert-butylphenyl)carbazole
CID 158165439
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
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole;9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 159726780
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
3-tert-butyl-9-(2-tert-butylphenyl)-6-[1-(3,4-ditert-butyl-5-carbazol-9-ylphenyl)-2-methylpropan-2-yl]carbazole
CID 167289801
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The IUPAC name of 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole (CID 167345490) is 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole.
What is the SMILES notation for 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The canonical SMILES for 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole is [2H]c1c([2H])c([2H])c(Cc2cccc3c4ccccc4n(-c4cccc(C(C)(C)C)c4C(C)(C)C)c23)c([2H])c1[2H].
What is the InChIKey of 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
The InChIKey is OCFATVUMACBASQ-CFPNEJFESA-N. The full InChI is InChI=1S/C33H35N/c1-32(2,3)27-19-13-21-29(30(27)33(4,5)6)34-28-20-11-10-17-25(28)26-18-12-16-24(31(26)34)22-23-14-8-7-9-15-23/h7-21H,22H2,1-6H3/i7D,8D,9D,14D,15D.
What are the key properties of 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole?
9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole has a molecular weight of 450.68 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole is sourced from PubChem (CID 167345490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).