6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C55H43N3 — CID 126543844

IUPAC6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3-4)cccc21
InChIInChI=1S/C55H43N3/c1-54(2)46-28-16-15-26-45(46)50-42(27-17-29-47(50)54)38-30-32-43-44-33-31-39(53-57-51(36-18-7-3-8-19-36)56-52(58-53)37-20-9-4-10-21-37)35-49(44)55(48(43)34-38,40-22-11-5-12-23-40)41-24-13-6-14-25-41/h3-35,51-52,56H,1-2H3,(H,57,58)
InChIKeyVFHGQSCXVWGYMW-UHFFFAOYSA-N
MW745.97 g/mol
LogP12.36
Rot. Bonds6

About 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126543844) has the molecular formula C55H43N3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126543844
Molecular FormulaC55H43N3
Molecular Weight745.97 g/mol
Exact Mass745.35
IUPAC Name6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3-4)cccc21
InChIInChI=1S/C55H43N3/c1-54(2)46-28-16-15-26-45(46)50-42(27-17-29-47(50)54)38-30-32-43-44-33-31-39(53-57-51(36-18-7-3-8-19-36)56-52(58-53)37-20-9-4-10-21-37)35-49(44)55(48(43)34-38,40-22-11-5-12-23-40)41-24-13-6-14-25-41/h3-35,51-52,56H,1-2H3,(H,57,58)
InChIKeyVFHGQSCXVWGYMW-UHFFFAOYSA-N
XLogP12.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099540
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940

Frequently Asked Questions

What is the IUPAC name of 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126543844) is 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3-4)cccc21.
What is the InChIKey of 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is VFHGQSCXVWGYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3/c1-54(2)46-28-16-15-26-45(46)50-42(27-17-29-47(50)54)38-30-32-43-44-33-31-39(53-57-51(36-18-7-3-8-19-36)56-52(58-53)37-20-9-4-10-21-37)35-49(44)55(48(43)34-38,40-22-11-5-12-23-40)41-24-13-6-14-25-41/h3-35,51-52,56H,1-2H3,(H,57,58).
What are the key properties of 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 745.97 g/mol, XLogP of 12.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126543844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).