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

C89H68BrF6N7 — CID 159125589

IUPAC2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C44H33F3N4.C30H21BrF3N3.C15H14/c1-28-14-24-38-36(26-28)37-27-29(2)15-25-39(37)51(38)35-22-20-34(21-23-35)43(3,44(45,46)47)33-18-16-32(17-19-33)42-49-40(30-10-6-4-7-11-30)48-41(50-42)31-12-8-5-9-13-31;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;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h4-27H,1-3H3;2-19H,1H3;3-8H,9H2,1-2H3
InChIKeyKGFQFVVHHABRNS-UHFFFAOYSA-N
MW1429.46 g/mol
LogP23.83
Rot. Bonds11

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

2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole (PubChem CID 159125589) has the molecular formula C89H68BrF6N7 and a molecular weight of 1429.46 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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole
PubChem CID159125589
Molecular FormulaC89H68BrF6N7
Molecular Weight1429.46 g/mol
Exact Mass1427.46
IUPAC Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C44H33F3N4.C30H21BrF3N3.C15H14/c1-28-14-24-38-36(26-28)37-27-29(2)15-25-39(37)51(38)35-22-20-34(21-23-35)43(3,44(45,46)47)33-18-16-32(17-19-33)42-49-40(30-10-6-4-7-11-30)48-41(50-42)31-12-8-5-9-13-31;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;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h4-27H,1-3H3;2-19H,1H3;3-8H,9H2,1-2H3
InChIKeyKGFQFVVHHABRNS-UHFFFAOYSA-N
XLogP23.83
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.46
LogP ≤ 523.83
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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
5-(3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
CID 66797894
3,6-Di-t-butyl-1,8-bis(3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9-phenyl-9h-carbazole
CID 139311556
3,6-Di-t-butyl-1,8-bis(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9-phenyl-9h-carbazole
CID 139312540
3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-9-phenylcarbazole
CID 168339976
5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-fluoro-7,7-dimethylindeno[2,1-b]carbazole
CID 66805073
5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-fluoro-7,7-dimethylindeno[2,1-b]carbazole
CID 66805083
5-(4,6-Difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 67472086
11-(4,6-Difluoro-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 67472117
11-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472162
11-[4,6-Bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472164
9-[4-[4-(9,9-Dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3,6-difluorocarbazole
CID 67678128

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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole (CID 159125589) is 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole.
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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole is CC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(C)(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is KGFQFVVHHABRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33F3N4.C30H21BrF3N3.C15H14/c1-28-14-24-38-36(26-28)37-27-29(2)15-25-39(37)51(38)35-22-20-34(21-23-35)43(3,44(45,46)47)33-18-16-32(17-19-33)42-49-40(30-10-6-4-7-11-30)48-41(50-42)31-12-8-5-9-13-31;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;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h4-27H,1-3H3;2-19H,1H3;3-8H,9H2,1-2H3.
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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole?
2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 1429.46 g/mol, XLogP of 23.83, 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;3,6-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 159125589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).