1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole

C48H30N2S — CID 170517793

IUPAC1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3ccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9c([2H])c([2H])c([2H])c([2H])c98)ccc76)c5c4c3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-45(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-30-35(25-26-44(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i1D,2D,3D,4D,7D,10D,12D,13D,14D,15D,16D,19D,28D
InChIKeyDFBYJAMFRRJOAL-CGFBFWMJSA-N
MW679.93 g/mol
LogP13.58
Rot. Bonds4

About 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole

1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole (PubChem CID 170517793) has the molecular formula C48H30N2S and a molecular weight of 679.93 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole
PubChem CID170517793
Molecular FormulaC48H30N2S
Molecular Weight679.93 g/mol
Exact Mass679.29
IUPAC Name1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3ccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9c([2H])c([2H])c([2H])c([2H])c98)ccc76)c5c4c3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-45(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-30-35(25-26-44(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i1D,2D,3D,4D,7D,10D,12D,13D,14D,15D,16D,19D,28D
InChIKeyDFBYJAMFRRJOAL-CGFBFWMJSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.93
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

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
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170517831
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
CID 174151035
CID 174151035
1,2,3,4,5,7,8-heptadeuterio-6-(9-dibenzothiophen-2-yl-5-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 169012025
3-carbazol-9-yl-9-[2,3,4,6,7,9-hexadeuterio-8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole
CID 170518023
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole (CID 170517793) is 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3ccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9c([2H])c([2H])c([2H])c([2H])c98)ccc76)c5c4c3)c2[2H])c([2H])c1[2H].
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The InChIKey is DFBYJAMFRRJOAL-CGFBFWMJSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-45(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-30-35(25-26-44(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i1D,2D,3D,4D,7D,10D,12D,13D,14D,15D,16D,19D,28D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole has a molecular weight of 679.93 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170517793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).