4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C54H39N3O — CID 137099451

IUPAC4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccccc5)c4)=N3)ccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C54H39N3O/c1-54(2)46-28-11-9-25-44(46)48-45(31-30-41(49(48)54)43-27-15-26-42-40-24-10-12-29-47(40)58-50(42)43)53-56-51(38-22-13-20-36(32-38)34-16-5-3-6-17-34)55-52(57-53)39-23-14-21-37(33-39)35-18-7-4-8-19-35/h3-33,51H,1-2H3,(H,55,56,57)
InChIKeyABLPEPGKLMEYPR-UHFFFAOYSA-N
MW745.93 g/mol
LogP13.39
Rot. Bonds6

About 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine

4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 137099451) has the molecular formula C54H39N3O and a molecular weight of 745.93 g/mol. Its IUPAC name is 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID137099451
Molecular FormulaC54H39N3O
Molecular Weight745.93 g/mol
Exact Mass745.31
IUPAC Name4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccccc5)c4)=N3)ccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C54H39N3O/c1-54(2)46-28-11-9-25-44(46)48-45(31-30-41(49(48)54)43-27-15-26-42-40-24-10-12-29-47(40)58-50(42)43)53-56-51(38-22-13-20-36(32-38)34-16-5-3-6-17-34)55-52(57-53)39-23-14-21-37(33-39)35-18-7-4-8-19-35/h3-33,51H,1-2H3,(H,55,56,57)
InChIKeyABLPEPGKLMEYPR-UHFFFAOYSA-N
XLogP13.39
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 156574729
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-[4-[4-(7-ethynyl-9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 163820013
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 137099451) is 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccccc5)c4)=N3)ccc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is ABLPEPGKLMEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3O/c1-54(2)46-28-11-9-25-44(46)48-45(31-30-41(49(48)54)43-27-15-26-42-40-24-10-12-29-47(40)58-50(42)43)53-56-51(38-22-13-20-36(32-38)34-16-5-3-6-17-34)55-52(57-53)39-23-14-21-37(33-39)35-18-7-4-8-19-35/h3-33,51H,1-2H3,(H,55,56,57).
What are the key properties of 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 745.93 g/mol, XLogP of 13.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 137099451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).