2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C56H41N3 — CID 129099536

IUPAC2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc5ccccc45)N3)cc2)cc1
InChIInChI=1S/C56H41N3/c1-5-18-38(19-6-1)39-32-34-42(35-33-39)54-57-53(41-21-7-2-8-22-41)58-55(59-54)52-45-27-14-13-20-40(45)36-37-47(52)46-29-17-31-50-51(46)48-28-15-16-30-49(48)56(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-37,53,55,58H,(H,57,59)
InChIKeyVJASMPMCZOHHQY-UHFFFAOYSA-N
MW755.97 g/mol
LogP12.87
Rot. Bonds7

About 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129099536) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129099536
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc5ccccc45)N3)cc2)cc1
InChIInChI=1S/C56H41N3/c1-5-18-38(19-6-1)39-32-34-42(35-33-39)54-57-53(41-21-7-2-8-22-41)58-55(59-54)52-45-27-14-13-20-40(45)36-37-47(52)46-29-17-31-50-51(46)48-28-15-16-30-49(48)56(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-37,53,55,58H,(H,57,59)
InChIKeyVJASMPMCZOHHQY-UHFFFAOYSA-N
XLogP12.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 512.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
CID 129099185
2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099671
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-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
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
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167196535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 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) is 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc5ccccc45)N3)cc2)cc1.
What is the InChIKey of 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is VJASMPMCZOHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-5-18-38(19-6-1)39-32-34-42(35-33-39)54-57-53(41-21-7-2-8-22-41)58-55(59-54)52-45-27-14-13-20-40(45)36-37-47(52)46-29-17-31-50-51(46)48-28-15-16-30-49(48)56(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-37,53,55,58H,(H,57,59).
What are the key properties of 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 755.97 g/mol, XLogP of 12.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129099536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).