2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C159H99N9O3 — CID 162235382

IUPAC2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccc7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccccc6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C57H35N3O.C53H33N3O.C49H31N3O/c1-5-17-36(18-6-1)41-34-49(37-19-7-2-8-20-37)53-51(35-41)52-48(57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39)32-31-42(54(52)61-53)40-29-30-47-45-27-14-13-25-43(45)44-26-15-16-28-46(44)50(47)33-40;1-5-15-34(16-6-1)41-32-46(35-17-7-2-8-18-35)49-47(33-41)48-44(53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39)30-29-43(50(48)57-49)40-28-27-37-26-25-36-19-13-14-24-42(36)45(37)31-40;1-5-15-32(16-6-1)39-30-42(34-18-7-2-8-19-34)45-43(31-39)44-41(28-27-40(46(44)53-45)38-26-25-33-17-13-14-24-37(33)29-38)49-51-47(35-20-9-3-10-21-35)50-48(52-49)36-22-11-4-12-23-36/h1-35H;1-33H;1-31H
InChIKeyZVZJLXKKNKDASV-UHFFFAOYSA-N
MW2183.60 g/mol
LogP42.24
Rot. Bonds18

About 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 162235382) has the molecular formula C159H99N9O3 and a molecular weight of 2183.60 g/mol. Its IUPAC name is 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID162235382
Molecular FormulaC159H99N9O3
Molecular Weight2183.60 g/mol
Exact Mass2181.79
IUPAC Name2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccc7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccccc6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C57H35N3O.C53H33N3O.C49H31N3O/c1-5-17-36(18-6-1)41-34-49(37-19-7-2-8-20-37)53-51(35-41)52-48(57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39)32-31-42(54(52)61-53)40-29-30-47-45-27-14-13-25-43(45)44-26-15-16-28-46(44)50(47)33-40;1-5-15-34(16-6-1)41-32-46(35-17-7-2-8-18-35)49-47(33-41)48-44(53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39)30-29-43(50(48)57-49)40-28-27-37-26-25-36-19-13-14-24-42(36)45(37)31-40;1-5-15-32(16-6-1)39-30-42(34-18-7-2-8-19-34)45-43(31-39)44-41(28-27-40(46(44)53-45)38-26-25-33-17-13-14-24-37(33)29-38)49-51-47(35-20-9-3-10-21-35)50-48(52-49)36-22-11-4-12-23-36/h1-35H;1-33H;1-31H
InChIKeyZVZJLXKKNKDASV-UHFFFAOYSA-N
XLogP42.24
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.60
LogP ≤ 542.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 160632178
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159639509
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754633
2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496724
2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 157305772
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496577
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754578
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 162235382) is 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccc7ccccc7c6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6ccccc6c5)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.
What is the InChIKey of 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZVZJLXKKNKDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.C53H33N3O.C49H31N3O/c1-5-17-36(18-6-1)41-34-49(37-19-7-2-8-20-37)53-51(35-41)52-48(57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39)32-31-42(54(52)61-53)40-29-30-47-45-27-14-13-25-43(45)44-26-15-16-28-46(44)50(47)33-40;1-5-15-34(16-6-1)41-32-46(35-17-7-2-8-18-35)49-47(33-41)48-44(53-55-51(38-20-9-3-10-21-38)54-52(56-53)39-22-11-4-12-23-39)30-29-43(50(48)57-49)40-28-27-37-26-25-36-19-13-14-24-42(36)45(37)31-40;1-5-15-32(16-6-1)39-30-42(34-18-7-2-8-19-34)45-43(31-39)44-41(28-27-40(46(44)53-45)38-26-25-33-17-13-14-24-37(33)29-38)49-51-47(35-20-9-3-10-21-35)50-48(52-49)36-22-11-4-12-23-36/h1-35H;1-33H;1-31H.
What are the key properties of 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2183.60 g/mol, XLogP of 42.24, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-diphenyl-4-triphenylen-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphthalen-2-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-phenanthren-3-yl-6,8-diphenyldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162235382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).