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

C81H49F6N7 — CID 146393958

IUPAC9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C81H49F6N7/c82-80(83,84)63-37-62(38-64(43-63)81(85,86)87)69-44-79(94-76-41-56(60-27-35-72(90-47-60)52-17-9-3-10-18-52)23-31-67(76)68-32-24-57(42-77(68)94)61-28-36-73(91-48-61)53-19-11-4-12-20-53)92-49-78(69)93-74-39-54(58-25-33-70(88-45-58)50-13-5-1-6-14-50)21-29-65(74)66-30-22-55(40-75(66)93)59-26-34-71(89-46-59)51-15-7-2-8-16-51/h1-49H
InChIKeySJPOGGMPLSLLIO-UHFFFAOYSA-N
MW1234.32 g/mol
LogP21.90
Rot. Bonds11

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

9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 146393958) 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-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
PubChem CID146393958
Molecular FormulaC81H49F6N7
Molecular Weight1234.32 g/mol
Exact Mass1233.40
IUPAC Name9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C81H49F6N7/c82-80(83,84)63-37-62(38-64(43-63)81(85,86)87)69-44-79(94-76-41-56(60-27-35-72(90-47-60)52-17-9-3-10-18-52)23-31-67(76)68-32-24-57(42-77(68)94)61-28-36-73(91-48-61)53-19-11-4-12-20-53)92-49-78(69)93-74-39-54(58-25-33-70(88-45-58)50-13-5-1-6-14-50)21-29-65(74)66-30-22-55(40-75(66)93)59-26-34-71(89-46-59)51-15-7-2-8-16-51/h1-49H
InChIKeySJPOGGMPLSLLIO-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-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (CID 146393958) is 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is FC(F)(F)c1cc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is SJPOGGMPLSLLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49F6N7/c82-80(83,84)63-37-62(38-64(43-63)81(85,86)87)69-44-79(94-76-41-56(60-27-35-72(90-47-60)52-17-9-3-10-18-52)23-31-67(76)68-32-24-57(42-77(68)94)61-28-36-73(91-48-61)53-19-11-4-12-20-53)92-49-78(69)93-74-39-54(58-25-33-70(88-45-58)50-13-5-1-6-14-50)21-29-65(74)66-30-22-55(40-75(66)93)59-26-34-71(89-46-59)51-15-7-2-8-16-51/h1-49H.
What are the key properties of 9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?
9-[5-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-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-3-pyridinyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 146393958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).