2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C55H37N3O — CID 170145656

IUPAC2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)CCC(c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)=C1
InChIInChI=1S/C55H37N3O/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-23-28-43(29-24-40)54-56-53(42-14-5-2-6-15-42)57-55(58-54)44-30-26-41(27-31-44)47-33-34-48(46-32-25-37-13-7-8-16-45(37)35-46)52-51(47)49-17-9-10-18-50(49)59-52/h1-26,28-30,32-35H,27,31H2
InChIKeyXIKXFEPZXFNVFC-UHFFFAOYSA-N
MW755.92 g/mol
LogP14.52
Rot. Bonds7

About 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 170145656) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID170145656
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)CCC(c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)=C1
InChIInChI=1S/C55H37N3O/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-23-28-43(29-24-40)54-56-53(42-14-5-2-6-15-42)57-55(58-54)44-30-26-41(27-31-44)47-33-34-48(46-32-25-37-13-7-8-16-45(37)35-46)52-51(47)49-17-9-10-18-50(49)59-52/h1-26,28-30,32-35H,27,31H2
InChIKeyXIKXFEPZXFNVFC-UHFFFAOYSA-N
XLogP14.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 166743068
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-naphthalen-2-yl-4-[4-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(7-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163770991
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-dibenzofuran-2-yl-4-[4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164969242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 170145656) is 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)n2)CCC(c2ccc(-c3ccc4ccccc4c3)c3oc4ccccc4c23)=C1.
What is the InChIKey of 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XIKXFEPZXFNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-23-28-43(29-24-40)54-56-53(42-14-5-2-6-15-42)57-55(58-54)44-30-26-41(27-31-44)47-33-34-48(46-32-25-37-13-7-8-16-45(37)35-46)52-51(47)49-17-9-10-18-50(49)59-52/h1-26,28-30,32-35H,27,31H2.
What are the key properties of 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 755.92 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170145656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).