2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine

C155H97N11O3 — CID 159369335

IUPAC2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/2C52H32N4O.C51H33N3O/c1-53-42-24-14-23-40(31-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)36-25-27-39(28-26-36)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-53-42-27-25-36(26-28-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)39-23-14-24-40(31-39)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-6-16-34(17-7-1)36-26-28-40(29-27-36)50-52-49(39-24-14-5-15-25-39)53-51(54-50)43-31-30-42(37-20-10-3-11-21-37)48-46(43)45-33-41(35-18-8-2-9-19-35)32-44(47(45)55-48)38-22-12-4-13-23-38/h2*2-33H;1-33H
InChIKeyLJNSWHCKTHZVJA-UHFFFAOYSA-N
MW2161.55 g/mol
LogP41.42
Rot. Bonds21

About 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine

2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 159369335) has the molecular formula C155H97N11O3 and a molecular weight of 2161.55 g/mol. Its IUPAC name is 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID159369335
Molecular FormulaC155H97N11O3
Molecular Weight2161.55 g/mol
Exact Mass2159.78
IUPAC Name2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/2C52H32N4O.C51H33N3O/c1-53-42-24-14-23-40(31-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)36-25-27-39(28-26-36)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-53-42-27-25-36(26-28-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)39-23-14-24-40(31-39)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-6-16-34(17-7-1)36-26-28-40(29-27-36)50-52-49(39-24-14-5-15-25-39)53-51(54-50)43-31-30-42(37-20-10-3-11-21-37)48-46(43)45-33-41(35-18-8-2-9-19-35)32-44(47(45)55-48)38-22-12-4-13-23-38/h2*2-33H;1-33H
InChIKeyLJNSWHCKTHZVJA-UHFFFAOYSA-N
XLogP41.42
TPSA164.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.55
LogP ≤ 541.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155621889
2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 156622244
2-[1-[3-(2-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 159952584
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 160711279
2-[3-[8-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165006967
2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
2,4-diphenyl-6-[3-phenyl-5-[6-(4-phenylphenyl)-1-[3-[4-phenyl-6-[4-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 163937678
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-isocyanophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176848104
2-(3,5-diphenylphenyl)-4-(4-isocyanophenyl)-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818384
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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 159276431

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine (CID 159369335) is 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine is [C-]#[N+]c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is LJNSWHCKTHZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4O.C51H33N3O/c1-53-42-24-14-23-40(31-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)36-25-27-39(28-26-36)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-53-42-27-25-36(26-28-42)44-30-29-43(47-46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49(44)47)35-17-8-3-9-18-35)39-23-14-24-40(31-39)52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38;1-6-16-34(17-7-1)36-26-28-40(29-27-36)50-52-49(39-24-14-5-15-25-39)53-51(54-50)43-31-30-42(37-20-10-3-11-21-37)48-46(43)45-33-41(35-18-8-2-9-19-35)32-44(47(45)55-48)38-22-12-4-13-23-38/h2*2-33H;1-33H.
What are the key properties of 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 2161.55 g/mol, XLogP of 41.42, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 159369335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).