9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole

C81H49F6N7 — CID 146393957

IUPAC9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C81H49F6N7/c82-80(83,84)59-41-58(42-60(47-59)81(85,86)87)65-48-79(94-76-45-56(72-31-15-27-68(91-72)52-21-9-3-10-22-52)35-39-63(76)64-40-36-57(46-77(64)94)73-32-16-28-69(92-73)53-23-11-4-12-24-53)88-49-78(65)93-74-43-54(70-29-13-25-66(89-70)50-17-5-1-6-18-50)33-37-61(74)62-38-34-55(44-75(62)93)71-30-14-26-67(90-71)51-19-7-2-8-20-51/h1-49H
InChIKeyVLHZYDAUGOSLHK-UHFFFAOYSA-N
MW1234.32 g/mol
LogP21.90
Rot. Bonds11

About 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole

9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 146393957) has the molecular formula C81H49F6N7 and a molecular weight of 1234.32 g/mol. Its IUPAC name is 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
PubChem CID146393957
Molecular FormulaC81H49F6N7
Molecular Weight1234.32 g/mol
Exact Mass1233.40
IUPAC Name9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C81H49F6N7/c82-80(83,84)59-41-58(42-60(47-59)81(85,86)87)65-48-79(94-76-45-56(72-31-15-27-68(91-72)52-21-9-3-10-22-52)35-39-63(76)64-40-36-57(46-77(64)94)73-32-16-28-69(92-73)53-23-11-4-12-24-53)88-49-78(65)93-74-43-54(70-29-13-25-66(89-70)50-17-5-1-6-18-50)33-37-61(74)62-38-34-55(44-75(62)93)71-30-14-26-67(90-71)51-19-7-2-8-20-51/h1-49H
InChIKeyVLHZYDAUGOSLHK-UHFFFAOYSA-N
XLogP21.90
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.32
LogP ≤ 521.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (CID 146393957) is 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is FC(F)(F)c1cc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is VLHZYDAUGOSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49F6N7/c82-80(83,84)59-41-58(42-60(47-59)81(85,86)87)65-48-79(94-76-45-56(72-31-15-27-68(91-72)52-21-9-3-10-22-52)35-39-63(76)64-40-36-57(46-77(64)94)73-32-16-28-69(92-73)53-23-11-4-12-24-53)88-49-78(65)93-74-43-54(70-29-13-25-66(89-70)50-17-5-1-6-18-50)33-37-61(74)62-38-34-55(44-75(62)93)71-30-14-26-67(90-71)51-19-7-2-8-20-51/h1-49H.
What are the key properties of 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1234.32 g/mol, XLogP of 21.90, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 146393957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).