4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C66H47N3O — CID 123180440

IUPAC4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc(-c6ccc7c(c6)-c6ccccc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C66H47N3O/c1-6-19-43(20-7-1)50-37-51(44-21-8-2-9-22-44)39-53(38-50)58-41-52(49-34-36-56-55(45-23-10-3-11-24-45)35-33-46-25-16-17-30-54(46)59(56)40-49)42-60-62-57(31-18-32-61(62)70-63(58)60)66-68-64(47-26-12-4-13-27-47)67-65(69-66)48-28-14-5-15-29-48/h1-32,34,36-42,55,66H,33,35H2,(H,67,68,69)
InChIKeyIFSRIQNYANRKIM-UHFFFAOYSA-N
MW898.12 g/mol
LogP16.49
Rot. Bonds8

About 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 123180440) has the molecular formula C66H47N3O and a molecular weight of 898.12 g/mol. Its IUPAC name is 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID123180440
Molecular FormulaC66H47N3O
Molecular Weight898.12 g/mol
Exact Mass897.37
IUPAC Name4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc(-c6ccc7c(c6)-c6ccccc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C66H47N3O/c1-6-19-43(20-7-1)50-37-51(44-21-8-2-9-22-44)39-53(38-50)58-41-52(49-34-36-56-55(45-23-10-3-11-24-45)35-33-46-25-16-17-30-54(46)59(56)40-49)42-60-62-57(31-18-32-61(62)70-63(58)60)66-68-64(47-26-12-4-13-27-47)67-65(69-66)48-28-14-5-15-29-48/h1-32,34,36-42,55,66H,33,35H2,(H,67,68,69)
InChIKeyIFSRIQNYANRKIM-UHFFFAOYSA-N
XLogP16.49
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.12
LogP ≤ 516.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 123469050
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
4-[8-(8-dibenzofuran-2-yl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 123473072
3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
CID 123172924
2-phenyl-4-(3-phenylphenyl)-6-[8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 123604887
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134199439
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 123180440) is 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc(-c6ccc7c(c6)-c6ccccc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is IFSRIQNYANRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3O/c1-6-19-43(20-7-1)50-37-51(44-21-8-2-9-22-44)39-53(38-50)58-41-52(49-34-36-56-55(45-23-10-3-11-24-45)35-33-46-25-16-17-30-54(46)59(56)40-49)42-60-62-57(31-18-32-61(62)70-63(58)60)66-68-64(47-26-12-4-13-27-47)67-65(69-66)48-28-14-5-15-29-48/h1-32,34,36-42,55,66H,33,35H2,(H,67,68,69).
What are the key properties of 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 898.12 g/mol, XLogP of 16.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 123180440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).