About 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane
2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane (PubChem CID 158508764) has the molecular formula C220H138N14S7
and a molecular weight of 3202.09 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane.
Molecular Properties
| Compound Name | 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane |
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| PubChem CID | 158508764 |
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| Molecular Formula | C220H138N14S7 |
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| Molecular Weight | 3202.09 g/mol |
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| Exact Mass | 3198.93 |
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| IUPAC Name | 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane |
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| SMILES | C.C.C.N#Cc1ccc(-c2cccc3c2sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2cccc3sc4ccccc4c23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2ccccc23)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3sc4ccccc4c23)c1.N#Cc1cccc(-c2cccc3c2sc2ccccc23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2cccc3sc4ccccc4c23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc2sc3ccccc3c12 |
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| InChI | InChI=1S/7C31H18N2S.3CH4/c32-19-20-9-7-14-24(23-13-8-18-29-30(23)25-12-3-6-17-28(25)34-29)31(20)33-26-15-4-1-10-21(26)22-11-2-5-16-27(22)33;32-19-20-9-7-16-27(33-25-14-4-1-10-21(25)22-11-2-5-15-26(22)33)30(20)24-13-8-18-29-31(24)23-12-3-6-17-28(23)34-29;32-19-20-9-7-13-24(26-15-8-14-25-23-12-3-6-18-29(23)34-31(25)26)30(20)33-27-16-4-1-10-21(27)22-11-2-5-17-28(22)33;32-19-20-16-17-23(25-11-7-12-26-24-10-3-6-15-30(24)34-31(25)26)29(18-20)33-27-13-4-1-8-21(27)22-9-2-5-14-28(22)33;32-19-20-16-17-29(33-27-13-4-1-8-21(27)22-9-2-5-14-28(22)33)26(18-20)25-12-7-11-24-23-10-3-6-15-30(23)34-31(24)25;32-19-20-16-17-23(24-11-7-15-30-31(24)25-10-3-6-14-29(25)34-30)28(18-20)33-26-12-4-1-8-21(26)22-9-2-5-13-27(22)33;32-19-20-16-17-28(33-26-12-4-1-8-21(26)22-9-2-5-13-27(22)33)25(18-20)23-11-7-15-30-31(23)24-10-3-6-14-29(24)34-30;;;/h7*1-18H;3*1H4 |
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| InChIKey | HKUCMDYNSZRVKM-UHFFFAOYSA-N |
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| XLogP | 62.74 |
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| TPSA | 201.04 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 21 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 241 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3202.09 |
| LogP ≤ 5 | 62.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
Analyze 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane?
The IUPAC name of 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane (CID 158508764) is 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane.
What is the SMILES notation for 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane?
The canonical SMILES for 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane is C.C.C.N#Cc1ccc(-c2cccc3c2sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2cccc3sc4ccccc4c23)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2ccccc23)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3sc4ccccc4c23)c1.N#Cc1cccc(-c2cccc3c2sc2ccccc23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2cccc3sc4ccccc4c23)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane?
The InChIKey is HKUCMDYNSZRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/7C31H18N2S.3CH4/c32-19-20-9-7-14-24(23-13-8-18-29-30(23)25-12-3-6-17-28(25)34-29)31(20)33-26-15-4-1-10-21(26)22-11-2-5-16-27(22)33;32-19-20-9-7-16-27(33-25-14-4-1-10-21(25)22-11-2-5-15-26(22)33)30(20)24-13-8-18-29-31(24)23-12-3-6-17-28(23)34-29;32-19-20-9-7-13-24(26-15-8-14-25-23-12-3-6-18-29(23)34-31(25)26)30(20)33-27-16-4-1-10-21(27)22-11-2-5-17-28(22)33;32-19-20-16-17-23(25-11-7-12-26-24-10-3-6-15-30(24)34-31(25)26)29(18-20)33-27-13-4-1-8-21(27)22-9-2-5-14-28(22)33;32-19-20-16-17-29(33-27-13-4-1-8-21(27)22-9-2-5-14-28(22)33)26(18-20)25-12-7-11-24-23-10-3-6-15-30(23)34-31(24)25;32-19-20-16-17-23(24-11-7-15-30-31(24)25-10-3-6-14-29(25)34-30)28(18-20)33-26-12-4-1-8-21(26)22-9-2-5-13-27(22)33;32-19-20-16-17-28(33-26-12-4-1-8-21(26)22-9-2-5-13-27(22)33)25(18-20)23-11-7-15-30-31(23)24-10-3-6-14-29(24)34-30;;;/h7*1-18H;3*1H4.
What are the key properties of 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane?
2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane has a molecular weight of 3202.09 g/mol, XLogP of 62.74, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;2-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;3-carbazol-9-yl-2-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-1-ylbenzonitrile;3-carbazol-9-yl-4-dibenzothiophen-4-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-1-ylbenzonitrile;4-carbazol-9-yl-3-dibenzothiophen-4-ylbenzonitrile;methane is sourced from PubChem (CID 158508764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).