2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine

C91H72BrF6N7 — CID 158434656

IUPAC2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc(C(C)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C45H35F3N4.C30H21BrF3N3.C16H16/c1-43(2)36-18-10-12-20-38(36)52(39-21-13-11-19-37(39)43)35-28-26-34(27-29-35)44(3,45(46,47)48)33-24-22-32(23-25-33)42-50-40(30-14-6-4-7-15-30)49-41(51-42)31-16-8-5-9-17-31;1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h4-29H,1-3H3;2-19H,1H3;3-10H,11H2,1-2H3
InChIKeyHCBRNKDMWWHUEV-UHFFFAOYSA-N
MW1457.52 g/mol
LogP24.27
Rot. Bonds11

About 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine

2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine (PubChem CID 158434656) has the molecular formula C91H72BrF6N7 and a molecular weight of 1457.52 g/mol. Its IUPAC name is 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine
PubChem CID158434656
Molecular FormulaC91H72BrF6N7
Molecular Weight1457.52 g/mol
Exact Mass1455.49
IUPAC Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc(C(C)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C45H35F3N4.C30H21BrF3N3.C16H16/c1-43(2)36-18-10-12-20-38(36)52(39-21-13-11-19-37(39)43)35-28-26-34(27-29-35)44(3,45(46,47)48)33-24-22-32(23-25-33)42-50-40(30-14-6-4-7-15-30)49-41(51-42)31-16-8-5-9-17-31;1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h4-29H,1-3H3;2-19H,1H3;3-10H,11H2,1-2H3
InChIKeyHCBRNKDMWWHUEV-UHFFFAOYSA-N
XLogP24.27
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.52
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[4-[2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine
CID 139321907
29-[3-(4,6-Difluoro-1,3,5-triazin-2-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926962
24-[3-(4,6-Difluoro-1,3,5-triazin-2-yl)phenyl]-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
CID 140927000
10-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-5-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine
CID 147550881
10-[2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole;1,3,6,8-tetramethyl-9H-fluorene
CID 158982969
N,N-diphenyl-3-[4-[3-(N-phenylanilino)naphthalen-2-yl]-6-[4-(N-phenylanilino)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-amine;N,N-diphenyl-2-[4-[2-(N-phenylanilino)phenyl]-6-[3-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]aniline;5-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-[4-[4-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]anilino]phenyl]-N-[2-[4-[4-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 159425506
benzylbenzene;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 160450730
2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,8-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole
CID 161707439
10-[4-[4-[9,9-Bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]acridine
CID 162503003
9,9-Bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
CID 162503006
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dihexyl-9,10-dihydroacridine
CID 172907478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine (CID 158434656) is 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine is CC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc(C(C)(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is HCBRNKDMWWHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35F3N4.C30H21BrF3N3.C16H16/c1-43(2)36-18-10-12-20-38(36)52(39-21-13-11-19-37(39)43)35-28-26-34(27-29-35)44(3,45(46,47)48)33-24-22-32(23-25-33)42-50-40(30-14-6-4-7-15-30)49-41(51-42)31-16-8-5-9-17-31;1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h4-29H,1-3H3;2-19H,1H3;3-10H,11H2,1-2H3.
What are the key properties of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 1457.52 g/mol, XLogP of 24.27, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-9H-anthracene;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 158434656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).