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

C60H36F6N4 — CID 142502079

IUPAC3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)47-33-58(70-54-21-10-8-19-46(54)49-32-40(25-29-56(49)70)43-23-27-52(68-36-43)38-14-5-2-6-15-38)50(60(64,65)66)34-57(47)69-53-20-9-7-18-45(53)48-31-39(24-28-55(48)69)42-22-26-51(67-35-42)37-12-3-1-4-13-37/h1-36H
InChIKeyPAEMCHJIOKWCMI-UHFFFAOYSA-N
MW926.96 g/mol
LogP17.04
Rot. Bonds7

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

3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 142502079) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID142502079
Molecular FormulaC60H36F6N4
Molecular Weight926.96 g/mol
Exact Mass926.28
IUPAC Name3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)47-33-58(70-54-21-10-8-19-46(54)49-32-40(25-29-56(49)70)43-23-27-52(68-36-43)38-14-5-2-6-15-38)50(60(64,65)66)34-57(47)69-53-20-9-7-18-45(53)48-31-39(24-28-55(48)69)42-22-26-51(67-35-42)37-12-3-1-4-13-37/h1-36H
InChIKeyPAEMCHJIOKWCMI-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 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 142502079) is 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.
What is the InChIKey of 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is PAEMCHJIOKWCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)47-33-58(70-54-21-10-8-19-46(54)49-32-40(25-29-56(49)70)43-23-27-52(68-36-43)38-14-5-2-6-15-38)50(60(64,65)66)34-57(47)69-53-20-9-7-18-45(53)48-31-39(24-28-55(48)69)42-22-26-51(67-35-42)37-12-3-1-4-13-37/h1-36H.
What are the key properties of 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(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 3-(6-phenyl-3-pyridinyl)-9-[4-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142502079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).