2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine

C64H35N3O2S2 — CID 168768799

IUPAC2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2c3ccc4sc5ccccc5c4c3-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c32)cc1
InChIInChI=1S/C64H35N3O2S2/c1-2-13-35(14-3-1)56-44-30-32-55-61(42-17-6-9-25-53(42)71-55)60(44)43-19-10-18-38(59(43)56)36-28-31-49-47(33-36)57-45(20-11-23-50(57)68-49)63-65-62(37-27-29-40-39-15-4-7-22-48(39)69-51(40)34-37)66-64(67-63)46-21-12-26-54-58(46)41-16-5-8-24-52(41)70-54/h1-34,56H
InChIKeyFDVXNSIJNHUHPS-UHFFFAOYSA-N
MW942.14 g/mol
LogP18.23
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 168768799) has the molecular formula C64H35N3O2S2 and a molecular weight of 942.14 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID168768799
Molecular FormulaC64H35N3O2S2
Molecular Weight942.14 g/mol
Exact Mass941.22
IUPAC Name2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2c3ccc4sc5ccccc5c4c3-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c32)cc1
InChIInChI=1S/C64H35N3O2S2/c1-2-13-35(14-3-1)56-44-30-32-55-61(42-17-6-9-25-53(42)71-55)60(44)43-19-10-18-38(59(43)56)36-28-31-49-47(33-36)57-45(20-11-23-50(57)68-49)63-65-62(37-27-29-40-39-15-4-7-22-48(39)69-51(40)34-37)66-64(67-63)46-21-12-26-54-58(46)41-16-5-8-24-52(41)70-54/h1-34,56H
InChIKeyFDVXNSIJNHUHPS-UHFFFAOYSA-N
XLogP18.23
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.14
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003122
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 168768799) is 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2c3ccc4sc5ccccc5c4c3-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c32)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is FDVXNSIJNHUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H35N3O2S2/c1-2-13-35(14-3-1)56-44-30-32-55-61(42-17-6-9-25-53(42)71-55)60(44)43-19-10-18-38(59(43)56)36-28-31-49-47(33-36)57-45(20-11-23-50(57)68-49)63-65-62(37-27-29-40-39-15-4-7-22-48(39)69-51(40)34-37)66-64(67-63)46-21-12-26-54-58(46)41-16-5-8-24-52(41)70-54/h1-34,56H.
What are the key properties of 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 942.14 g/mol, XLogP of 18.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(14-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-16-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 168768799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).