2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile

C97H59N13O2 — CID 157347372

IUPAC2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3)n2)cc1
InChIInChI=1S/C49H29N7O.C48H30N6O/c50-30-31-27-36(29-37(28-31)48-53-44(32-15-5-1-6-16-32)51-45(54-48)33-17-7-2-8-18-33)38-23-13-24-39-42-40(25-14-26-41(42)57-43(38)39)49-55-46(34-19-9-3-10-20-34)52-47(56-49)35-21-11-4-12-22-35;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-13-24-35(30-36)37-26-14-27-38-41-39(28-15-29-40(41)55-42(37)38)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-29H;1-30H
InChIKeyBHCZSLYDYPVWOF-UHFFFAOYSA-N
MW1438.63 g/mol
LogP23.12
Rot. Bonds14

About 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile

2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile (PubChem CID 157347372) has the molecular formula C97H59N13O2 and a molecular weight of 1438.63 g/mol. Its IUPAC name is 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile
PubChem CID157347372
Molecular FormulaC97H59N13O2
Molecular Weight1438.63 g/mol
Exact Mass1437.49
IUPAC Name2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3)n2)cc1
InChIInChI=1S/C49H29N7O.C48H30N6O/c50-30-31-27-36(29-37(28-31)48-53-44(32-15-5-1-6-16-32)51-45(54-48)33-17-7-2-8-18-33)38-23-13-24-39-42-40(25-14-26-41(42)57-43(38)39)49-55-46(34-19-9-3-10-20-34)52-47(56-49)35-21-11-4-12-22-35;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-13-24-35(30-36)37-26-14-27-38-41-39(28-15-29-40(41)55-42(37)38)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-29H;1-30H
InChIKeyBHCZSLYDYPVWOF-UHFFFAOYSA-N
XLogP23.12
TPSA204.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.63
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile with MolForge

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Related Compounds

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
3-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 177112707
2-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 148516299
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835368

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile?
The IUPAC name of 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile (CID 157347372) is 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile.
What is the SMILES notation for 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile?
The canonical SMILES for 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3)n2)cc1.
What is the InChIKey of 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile?
The InChIKey is BHCZSLYDYPVWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7O.C48H30N6O/c50-30-31-27-36(29-37(28-31)48-53-44(32-15-5-1-6-16-32)51-45(54-48)33-17-7-2-8-18-33)38-23-13-24-39-42-40(25-14-26-41(42)57-43(38)39)49-55-46(34-19-9-3-10-20-34)52-47(56-49)35-21-11-4-12-22-35;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-13-24-35(30-36)37-26-14-27-38-41-39(28-15-29-40(41)55-42(37)38)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-29H;1-30H.
What are the key properties of 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile?
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile has a molecular weight of 1438.63 g/mol, XLogP of 23.12, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile is sourced from PubChem (CID 157347372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).