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

C83H51F3N10 — CID 139298525

IUPAC9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C83H51F3N10/c84-83(85,86)60-41-46-75(96-72-38-22-20-36-64(72)67-48-59(40-45-74(67)96)82-93-79(56-31-15-5-16-32-56)90-80(94-82)57-33-17-6-18-34-57)68(49-60)65-50-61(42-43-62(65)70-51-69(52-23-7-1-8-24-52)87-76(88-70)53-25-9-2-10-26-53)95-71-37-21-19-35-63(71)66-47-58(39-44-73(66)95)81-91-77(54-27-11-3-12-28-54)89-78(92-81)55-29-13-4-14-30-55/h1-51H
InChIKeyYZWPKLQZMNYSBJ-UHFFFAOYSA-N
MW1245.38 g/mol
LogP20.73
Rot. Bonds12

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

9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 139298525) has the molecular formula C83H51F3N10 and a molecular weight of 1245.38 g/mol. Its IUPAC name is 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID139298525
Molecular FormulaC83H51F3N10
Molecular Weight1245.38 g/mol
Exact Mass1244.43
IUPAC Name9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C83H51F3N10/c84-83(85,86)60-41-46-75(96-72-38-22-20-36-64(72)67-48-59(40-45-74(67)96)82-93-79(56-31-15-5-16-32-56)90-80(94-82)57-33-17-6-18-34-57)68(49-60)65-50-61(42-43-62(65)70-51-69(52-23-7-1-8-24-52)87-76(88-70)53-25-9-2-10-26-53)95-71-37-21-19-35-63(71)66-47-58(39-44-73(66)95)81-91-77(54-27-11-3-12-28-54)89-78(92-81)55-29-13-4-14-30-55/h1-51H
InChIKeyYZWPKLQZMNYSBJ-UHFFFAOYSA-N
XLogP20.73
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.38
LogP ≤ 520.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 139298525) is 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is YZWPKLQZMNYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51F3N10/c84-83(85,86)60-41-46-75(96-72-38-22-20-36-64(72)67-48-59(40-45-74(67)96)82-93-79(56-31-15-5-16-32-56)90-80(94-82)57-33-17-6-18-34-57)68(49-60)65-50-61(42-43-62(65)70-51-69(52-23-7-1-8-24-52)87-76(88-70)53-25-9-2-10-26-53)95-71-37-21-19-35-63(71)66-47-58(39-44-73(66)95)81-91-77(54-27-11-3-12-28-54)89-78(92-81)55-29-13-4-14-30-55/h1-51H.
What are the key properties of 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1245.38 g/mol, XLogP of 20.73, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 139298525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).