2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C61H45N3O2 — CID 169055032

IUPAC2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)oc5c(-c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7)cccc56)cccc34)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H45N3O2/c1-3-11-40(12-4-1)46-15-7-8-16-53(46)60-63-58(42-13-5-2-6-14-42)62-59(64-60)44-24-28-50-52-20-10-18-48(57(52)66-55(50)33-44)43-23-27-49-51-19-9-17-47(56(51)65-54(49)32-43)41-21-25-45(26-22-41)61-34-37-29-38(35-61)31-39(30-37)36-61/h1-28,32-33,37-39H,29-31,34-36H2
InChIKeyQRGDLIJPTYVXEB-UHFFFAOYSA-N
MW852.05 g/mol
LogP16.14
Rot. Bonds7

About 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 169055032) has the molecular formula C61H45N3O2 and a molecular weight of 852.05 g/mol. Its IUPAC name is 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID169055032
Molecular FormulaC61H45N3O2
Molecular Weight852.05 g/mol
Exact Mass851.35
IUPAC Name2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)oc5c(-c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7)cccc56)cccc34)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H45N3O2/c1-3-11-40(12-4-1)46-15-7-8-16-53(46)60-63-58(42-13-5-2-6-14-42)62-59(64-60)44-24-28-50-52-20-10-18-48(57(52)66-55(50)33-44)43-23-27-49-51-19-9-17-47(56(51)65-54(49)32-43)41-21-25-45(26-22-41)61-34-37-29-38(35-61)31-39(30-37)36-61/h1-28,32-33,37-39H,29-31,34-36H2
InChIKeyQRGDLIJPTYVXEB-UHFFFAOYSA-N
XLogP16.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
2-[4-(1-adamantyl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798019
7-[4-[4-[2-[4-(1-adamantyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-carbonitrile
CID 168807982
8-[4-[4-[2-[4-(1-adamantyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-carbonitrile
CID 168808257
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112962
4-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168808589
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 169054853

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 169055032) is 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)oc5c(-c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7)cccc56)cccc34)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is QRGDLIJPTYVXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3O2/c1-3-11-40(12-4-1)46-15-7-8-16-53(46)60-63-58(42-13-5-2-6-14-42)62-59(64-60)44-24-28-50-52-20-10-18-48(57(52)66-55(50)33-44)43-23-27-49-51-19-9-17-47(56(51)65-54(49)32-43)41-21-25-45(26-22-41)61-34-37-29-38(35-61)31-39(30-37)36-61/h1-28,32-33,37-39H,29-31,34-36H2.
What are the key properties of 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 852.05 g/mol, XLogP of 16.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169055032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).