9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole

C83H45F12N9 — CID 162613998

IUPAC9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1cnccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C83H45F12N9/c84-80(85,86)49-24-30-69-61(40-49)53-14-4-8-18-65(53)101(69)73-38-47(22-28-57(73)59-34-36-96-44-75(59)103-67-20-10-6-16-55(67)63-42-51(82(90,91)92)26-32-71(63)103)78-98-77(46-12-2-1-3-13-46)99-79(100-78)48-23-29-58(74(39-48)102-66-19-9-5-15-54(66)62-41-50(81(87,88)89)25-31-70(62)102)60-35-37-97-45-76(60)104-68-21-11-7-17-56(68)64-43-52(83(93,94)95)27-33-72(64)104/h1-45H
InChIKeyGHJCPRGJEOWNHP-UHFFFAOYSA-N
MW1396.31 g/mol
LogP23.46
Rot. Bonds9

About 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole

9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (PubChem CID 162613998) has the molecular formula C83H45F12N9 and a molecular weight of 1396.31 g/mol. Its IUPAC name is 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
PubChem CID162613998
Molecular FormulaC83H45F12N9
Molecular Weight1396.31 g/mol
Exact Mass1395.36
IUPAC Name9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1cnccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C83H45F12N9/c84-80(85,86)49-24-30-69-61(40-49)53-14-4-8-18-65(53)101(69)73-38-47(22-28-57(73)59-34-36-96-44-75(59)103-67-20-10-6-16-55(67)63-42-51(82(90,91)92)26-32-71(63)103)78-98-77(46-12-2-1-3-13-46)99-79(100-78)48-23-29-58(74(39-48)102-66-19-9-5-15-54(66)62-41-50(81(87,88)89)25-31-70(62)102)60-35-37-97-45-76(60)104-68-21-11-7-17-56(68)64-43-52(83(93,94)95)27-33-72(64)104/h1-45H
InChIKeyGHJCPRGJEOWNHP-UHFFFAOYSA-N
XLogP23.46
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.31
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (CID 162613998) is 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1cnccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The InChIKey is GHJCPRGJEOWNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H45F12N9/c84-80(85,86)49-24-30-69-61(40-49)53-14-4-8-18-65(53)101(69)73-38-47(22-28-57(73)59-34-36-96-44-75(59)103-67-20-10-6-16-55(67)63-42-51(82(90,91)92)26-32-71(63)103)78-98-77(46-12-2-1-3-13-46)99-79(100-78)48-23-29-58(74(39-48)102-66-19-9-5-15-54(66)62-41-50(81(87,88)89)25-31-70(62)102)60-35-37-97-45-76(60)104-68-21-11-7-17-56(68)64-43-52(83(93,94)95)27-33-72(64)104/h1-45H.
What are the key properties of 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole has a molecular weight of 1396.31 g/mol, XLogP of 23.46, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]phenyl]-1,3,5-triazin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 162613998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).