2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine

C62H37N3O2S — CID 167043386

IUPAC2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C62H37N3O2S/c1-2-13-37-30-49-38(29-36(37)12-1)22-25-45(43-15-5-6-16-44(43)49)52-33-41(34-55-58(52)48-26-21-35-11-3-4-14-42(35)59(48)67-55)62-64-60(39-23-27-54-50(31-39)46-17-7-9-19-53(46)66-54)63-61(65-62)40-24-28-57-51(32-40)47-18-8-10-20-56(47)68-57/h1-21,23-24,26-34,45H,22,25H2
InChIKeyDUFZWEZRHHFPHK-UHFFFAOYSA-N
MW888.06 g/mol
LogP17.09
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine (PubChem CID 167043386) has the molecular formula C62H37N3O2S and a molecular weight of 888.06 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
PubChem CID167043386
Molecular FormulaC62H37N3O2S
Molecular Weight888.06 g/mol
Exact Mass887.26
IUPAC Name2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc2oc3c4ccccc4ccc3c12
InChIInChI=1S/C62H37N3O2S/c1-2-13-37-30-49-38(29-36(37)12-1)22-25-45(43-15-5-6-16-44(43)49)52-33-41(34-55-58(52)48-26-21-35-11-3-4-14-42(35)59(48)67-55)62-64-60(39-23-27-54-50(31-39)46-17-7-9-19-53(46)66-54)63-61(65-62)40-24-28-57-51(32-40)47-18-8-10-20-56(47)68-57/h1-21,23-24,26-34,45H,22,25H2
InChIKeyDUFZWEZRHHFPHK-UHFFFAOYSA-N
XLogP17.09
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.06
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-naphthalen-1-yl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166700130
2,4-di(dibenzothiophen-1-yl)-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 167043815
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699873
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155042565
2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167043634
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167042969
9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699724
2,4-di(phenanthren-9-yl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166699645
5-[8-(4-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 155042232
2-phenyl-4-(3-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167043649
2-naphthalen-1-yl-4-phenanthren-9-yl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 167043273
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine (CID 167043386) is 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine is c1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc2oc3c4ccccc4ccc3c12.
What is the InChIKey of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The InChIKey is DUFZWEZRHHFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N3O2S/c1-2-13-37-30-49-38(29-36(37)12-1)22-25-45(43-15-5-6-16-44(43)49)52-33-41(34-55-58(52)48-26-21-35-11-3-4-14-42(35)59(48)67-55)62-64-60(39-23-27-54-50(31-39)46-17-7-9-19-53(46)66-54)63-61(65-62)40-24-28-57-51(32-40)47-18-8-10-20-56(47)68-57/h1-21,23-24,26-34,45H,22,25H2.
What are the key properties of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine has a molecular weight of 888.06 g/mol, XLogP of 17.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine is sourced from PubChem (CID 167043386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).