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

C156H96N12O3 — CID 159952584

IUPAC2-[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
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.[C-]#[N+]c1cccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c23)c1
InChIInChI=1S/3C52H32N4O/c1-53-42-27-15-25-39(31-42)38-24-14-26-40(30-38)43-28-29-44(52-55-50(36-20-10-4-11-21-36)54-51(56-52)37-22-12-5-13-23-37)49-47(43)46-33-41(34-16-6-2-7-17-34)32-45(48(46)57-49)35-18-8-3-9-19-35;1-53-46-28-15-14-27-41(46)38-25-16-26-39(31-38)42-29-30-43(52-55-50(36-21-10-4-11-22-36)54-51(56-52)37-23-12-5-13-24-37)49-47(42)45-33-40(34-17-6-2-7-18-34)32-44(48(45)57-49)35-19-8-3-9-20-35;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h3*2-33H
InChIKeyOCHNKJLMNJWOTH-UHFFFAOYSA-N
MW2186.56 g/mol
LogP41.97
Rot. Bonds21

About 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

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 (PubChem CID 159952584) has the molecular formula C156H96N12O3 and a molecular weight of 2186.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159952584
Molecular FormulaC156H96N12O3
Molecular Weight2186.56 g/mol
Exact Mass2184.77
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.[C-]#[N+]c1cccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c23)c1
InChIInChI=1S/3C52H32N4O/c1-53-42-27-15-25-39(31-42)38-24-14-26-40(30-38)43-28-29-44(52-55-50(36-20-10-4-11-21-36)54-51(56-52)37-22-12-5-13-23-37)49-47(43)46-33-41(34-16-6-2-7-17-34)32-45(48(46)57-49)35-18-8-3-9-19-35;1-53-46-28-15-14-27-41(46)38-25-16-26-39(31-38)42-29-30-43(52-55-50(36-21-10-4-11-22-36)54-51(56-52)37-23-12-5-13-24-37)49-47(42)45-33-40(34-17-6-2-7-18-34)32-44(48(45)57-49)35-19-8-3-9-20-35;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h3*2-33H
InChIKeyOCHNKJLMNJWOTH-UHFFFAOYSA-N
XLogP41.97
TPSA168.51 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.56
LogP ≤ 541.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 156622244
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
2-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155621889
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-(3,5-diphenylphenyl)-4-(4-isocyanophenyl)-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818384
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-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
2-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-isocyanophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176848039
2-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-isocyanophenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 176848004
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
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(2-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158728702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.[C-]#[N+]c1cccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c23)c1.
What is the InChIKey of 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?
The InChIKey is OCHNKJLMNJWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N4O/c1-53-42-27-15-25-39(31-42)38-24-14-26-40(30-38)43-28-29-44(52-55-50(36-20-10-4-11-21-36)54-51(56-52)37-22-12-5-13-23-37)49-47(43)46-33-41(34-16-6-2-7-17-34)32-45(48(46)57-49)35-18-8-3-9-19-35;1-53-46-28-15-14-27-41(46)38-25-16-26-39(31-38)42-29-30-43(52-55-50(36-21-10-4-11-22-36)54-51(56-52)37-23-12-5-13-24-37)49-47(42)45-33-40(34-17-6-2-7-18-34)32-44(48(45)57-49)35-19-8-3-9-20-35;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h3*2-33H.
What are the key properties of 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?
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 has a molecular weight of 2186.56 g/mol, XLogP of 41.97, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159952584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).