About 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137369288) has the molecular formula C64H34F6N6
and a molecular weight of 1001.01 g/mol. Its IUPAC name is 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
Molecular Properties
| Compound Name | 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile |
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| PubChem CID | 137369288 |
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| Molecular Formula | C64H34F6N6 |
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| Molecular Weight | 1001.01 g/mol |
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| Exact Mass | 1000.27 |
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| IUPAC Name | 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile |
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| SMILES | N#Cc1c(-n2c3ccccc3c3c4ccccc4ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)nc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21 |
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| InChI | InChI=1S/C64H34F6N6/c65-63(66,67)38-27-31-53-46(33-38)42-17-5-9-21-49(42)75(53)61-59(73-51-23-11-7-19-44(51)57-40-15-3-1-13-36(40)25-29-55(57)73)48(35-71)60(74-52-24-12-8-20-45(52)58-41-16-4-2-14-37(41)26-30-56(58)74)62(72-61)76-50-22-10-6-18-43(50)47-34-39(64(68,69)70)28-32-54(47)76/h1-34H |
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| InChIKey | WONJKTOLDJIRMK-UHFFFAOYSA-N |
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| XLogP | 17.69 |
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| TPSA | 56.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 76 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1001.01 |
| LogP ≤ 5 | 17.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137369288) is 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3c4ccccc4ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)nc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is WONJKTOLDJIRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F6N6/c65-63(66,67)38-27-31-53-46(33-38)42-17-5-9-21-49(42)75(53)61-59(73-51-23-11-7-19-44(51)57-40-15-3-1-13-36(40)25-29-55(57)73)48(35-71)60(74-52-24-12-8-20-45(52)58-41-16-4-2-14-37(41)26-30-56(58)74)62(72-61)76-50-22-10-6-18-43(50)47-34-39(64(68,69)70)28-32-54(47)76/h1-34H.
What are the key properties of 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1001.01 g/mol, XLogP of 17.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(benzo[c]carbazol-7-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137369288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).