2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline

C80H54BrN7 — CID 159258802

IUPAC2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline
SMILESBrc1ccc(C2(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H32N4.C34H22BrN3/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)46(41-27-15-13-25-39(41)40-26-14-16-28-42(40)46)35-29-31-38(32-30-35)50(36-21-9-3-10-22-36)37-23-11-4-12-24-37;35-26-21-19-25(20-22-26)34(29-17-9-7-15-27(29)28-16-8-10-18-30(28)34)33-37-31(23-11-3-1-4-12-23)36-32(38-33)24-13-5-2-6-14-24/h1-32H;1-22H
InChIKeyKWFYYVKZHVPDQD-UHFFFAOYSA-N
MW1193.27 g/mol
LogP19.37
Rot. Bonds11

About 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline

2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline (PubChem CID 159258802) has the molecular formula C80H54BrN7 and a molecular weight of 1193.27 g/mol. Its IUPAC name is 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline
PubChem CID159258802
Molecular FormulaC80H54BrN7
Molecular Weight1193.27 g/mol
Exact Mass1191.36
IUPAC Name2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline
SMILESBrc1ccc(C2(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H32N4.C34H22BrN3/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)46(41-27-15-13-25-39(41)40-26-14-16-28-42(40)46)35-29-31-38(32-30-35)50(36-21-9-3-10-22-36)37-23-11-4-12-24-37;35-26-21-19-25(20-22-26)34(29-17-9-7-15-27(29)28-16-8-10-18-30(28)34)33-37-31(23-11-3-1-4-12-23)36-32(38-33)24-13-5-2-6-14-24/h1-32H;1-22H
InChIKeyKWFYYVKZHVPDQD-UHFFFAOYSA-N
XLogP19.37
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.27
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-spiro(acridine-9,9'-fluorene)
CID 132099800
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-N-(4-phenylphenyl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-5-(trifluoromethyl)aniline
CID 117809694
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
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
2-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;9H-fluorene
CID 159590846
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
N,N-bis[4-[(E)-2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 57983790
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233296
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline
CID 58233347
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 58233378

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline?
The IUPAC name of 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline (CID 159258802) is 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline is Brc1ccc(C2(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline?
The InChIKey is KWFYYVKZHVPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4.C34H22BrN3/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)46(41-27-15-13-25-39(41)40-26-14-16-28-42(40)46)35-29-31-38(32-30-35)50(36-21-9-3-10-22-36)37-23-11-4-12-24-37;35-26-21-19-25(20-22-26)34(29-17-9-7-15-27(29)28-16-8-10-18-30(28)34)33-37-31(23-11-3-1-4-12-23)36-32(38-33)24-13-5-2-6-14-24/h1-32H;1-22H.
What are the key properties of 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline?
2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline has a molecular weight of 1193.27 g/mol, XLogP of 19.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-bromophenyl)fluoren-9-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)fluoren-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 159258802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).