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

C84H46F12N8 — CID 162613993

IUPAC9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnccc4-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C84H46F12N8/c85-81(86,87)50-24-30-72-60(40-50)54-14-4-8-18-68(54)101(72)76-34-36-97-45-64(76)58-28-22-48(38-78(58)103-70-20-10-6-16-56(70)62-42-52(83(91,92)93)26-32-74(62)103)67-44-66(47-12-2-1-3-13-47)99-80(100-67)49-23-29-59(79(39-49)104-71-21-11-7-17-57(71)63-43-53(84(94,95)96)27-33-75(63)104)65-46-98-37-35-77(65)102-69-19-9-5-15-55(69)61-41-51(82(88,89)90)25-31-73(61)102/h1-46H
InChIKeyWDPQHIFIOYDJTC-UHFFFAOYSA-N
MW1395.32 g/mol
LogP24.07
Rot. Bonds9

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

9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole (PubChem CID 162613993) has the molecular formula C84H46F12N8 and a molecular weight of 1395.32 g/mol. Its IUPAC name is 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole
PubChem CID162613993
Molecular FormulaC84H46F12N8
Molecular Weight1395.32 g/mol
Exact Mass1394.37
IUPAC Name9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnccc4-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C84H46F12N8/c85-81(86,87)50-24-30-72-60(40-50)54-14-4-8-18-68(54)101(72)76-34-36-97-45-64(76)58-28-22-48(38-78(58)103-70-20-10-6-16-56(70)62-42-52(83(91,92)93)26-32-74(62)103)67-44-66(47-12-2-1-3-13-47)99-80(100-67)49-23-29-59(79(39-49)104-71-21-11-7-17-57(71)63-43-53(84(94,95)96)27-33-75(63)104)65-46-98-37-35-77(65)102-69-19-9-5-15-55(69)61-41-51(82(88,89)90)25-31-73(61)102/h1-46H
InChIKeyWDPQHIFIOYDJTC-UHFFFAOYSA-N
XLogP24.07
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.32
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole (CID 162613993) is 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnccc4-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-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole?
The InChIKey is WDPQHIFIOYDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H46F12N8/c85-81(86,87)50-24-30-72-60(40-50)54-14-4-8-18-68(54)101(72)76-34-36-97-45-64(76)58-28-22-48(38-78(58)103-70-20-10-6-16-56(70)62-42-52(83(91,92)93)26-32-74(62)103)67-44-66(47-12-2-1-3-13-47)99-80(100-67)49-23-29-59(79(39-49)104-71-21-11-7-17-57(71)63-43-53(84(94,95)96)27-33-75(63)104)65-46-98-37-35-77(65)102-69-19-9-5-15-55(69)61-41-51(82(88,89)90)25-31-73(61)102/h1-46H.
What are the key properties of 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole?
9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole has a molecular weight of 1395.32 g/mol, XLogP of 24.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-phenyl-6-[3-[3-(trifluoromethyl)carbazol-9-yl]-4-[4-[3-(trifluoromethyl)carbazol-9-yl]-3-pyridinyl]phenyl]pyrimidin-2-yl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 162613993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).