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

C60H36F6N4 — CID 142501869

IUPAC2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)49-33-57(69-53-20-9-7-18-45(53)47-26-22-39(31-55(47)69)42-24-28-51(67-35-42)37-12-3-1-4-13-37)58(34-50(49)60(64,65)66)70-54-21-10-8-19-46(54)48-27-23-40(32-56(48)70)43-25-29-52(68-36-43)38-14-5-2-6-15-38/h1-36H
InChIKeyQOXMPMNMYAOLAK-UHFFFAOYSA-N
MW926.96 g/mol
LogP17.04
Rot. Bonds7

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

2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 142501869) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID142501869
Molecular FormulaC60H36F6N4
Molecular Weight926.96 g/mol
Exact Mass926.28
IUPAC Name2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)49-33-57(69-53-20-9-7-18-45(53)47-26-22-39(31-55(47)69)42-24-28-51(67-35-42)37-12-3-1-4-13-37)58(34-50(49)60(64,65)66)70-54-21-10-8-19-46(54)48-27-23-40(32-56(48)70)43-25-29-52(68-36-43)38-14-5-2-6-15-38/h1-36H
InChIKeyQOXMPMNMYAOLAK-UHFFFAOYSA-N
XLogP17.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.96
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 142501869) is 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C(F)(F)F)c1.
What is the InChIKey of 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is QOXMPMNMYAOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)49-33-57(69-53-20-9-7-18-45(53)47-26-22-39(31-55(47)69)42-24-28-51(67-35-42)37-12-3-1-4-13-37)58(34-50(49)60(64,65)66)70-54-21-10-8-19-46(54)48-27-23-40(32-56(48)70)43-25-29-52(68-36-43)38-14-5-2-6-15-38/h1-36H.
What are the key properties of 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 926.96 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-3-pyridinyl)-9-[2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142501869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).