2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine

C102H71F3N12 — CID 174268044

IUPAC2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1c(C)c(C)c(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccc(C(F)(F)F)cc6)n5)c4)cc3)n2)c(C)c1C
InChIInChI=1S/C102H71F3N12/c1-62-63(2)65(4)89(66(5)64(62)3)88-61-78(82-44-25-27-46-84(82)99-112-92(71-33-16-8-17-34-71)107-93(113-99)72-35-18-9-19-36-72)54-58-86(88)101-115-94(73-37-20-10-21-38-73)108-96(116-101)75-49-47-67(48-50-75)76-41-28-42-79(59-76)97-109-95(74-39-22-11-23-40-74)114-100(117-97)85-57-53-77(60-87(85)68-51-55-80(56-52-68)102(103,104)105)81-43-24-26-45-83(81)98-110-90(69-29-12-6-13-30-69)106-91(111-98)70-31-14-7-15-32-70/h6-61H,1-5H3
InChIKeyJVEWAWGWZQENHU-UHFFFAOYSA-N
MW1521.77 g/mol
LogP25.33
Rot. Bonds17

About 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 174268044) has the molecular formula C102H71F3N12 and a molecular weight of 1521.77 g/mol. Its IUPAC name is 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID174268044
Molecular FormulaC102H71F3N12
Molecular Weight1521.77 g/mol
Exact Mass1520.59
IUPAC Name2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1c(C)c(C)c(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccc(C(F)(F)F)cc6)n5)c4)cc3)n2)c(C)c1C
InChIInChI=1S/C102H71F3N12/c1-62-63(2)65(4)89(66(5)64(62)3)88-61-78(82-44-25-27-46-84(82)99-112-92(71-33-16-8-17-34-71)107-93(113-99)72-35-18-9-19-36-72)54-58-86(88)101-115-94(73-37-20-10-21-38-73)108-96(116-101)75-49-47-67(48-50-75)76-41-28-42-79(59-76)97-109-95(74-39-22-11-23-40-74)114-100(117-97)85-57-53-77(60-87(85)68-51-55-80(56-52-68)102(103,104)105)81-43-24-26-45-83(81)98-110-90(69-29-12-6-13-30-69)106-91(111-98)70-31-14-7-15-32-70/h6-61H,1-5H3
InChIKeyJVEWAWGWZQENHU-UHFFFAOYSA-N
XLogP25.33
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.77
LogP ≤ 525.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 174268044) is 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine is Cc1c(C)c(C)c(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccc(C(F)(F)F)cc6)n5)c4)cc3)n2)c(C)c1C.
What is the InChIKey of 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is JVEWAWGWZQENHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H71F3N12/c1-62-63(2)65(4)89(66(5)64(62)3)88-61-78(82-44-25-27-46-84(82)99-112-92(71-33-16-8-17-34-71)107-93(113-99)72-35-18-9-19-36-72)54-58-86(88)101-115-94(73-37-20-10-21-38-73)108-96(116-101)75-49-47-67(48-50-75)76-41-28-42-79(59-76)97-109-95(74-39-22-11-23-40-74)114-100(117-97)85-57-53-77(60-87(85)68-51-55-80(56-52-68)102(103,104)105)81-43-24-26-45-83(81)98-110-90(69-29-12-6-13-30-69)106-91(111-98)70-31-14-7-15-32-70/h6-61H,1-5H3.
What are the key properties of 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine?
2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1521.77 g/mol, XLogP of 25.33, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174268044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).