2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C90H48N6O5S — CID 170141313

IUPAC2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cc(-c4ccc(-c5nc(-c6ccc7c(c6)oc6c(-c8cccc9c8oc8ccccc89)cccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C90H48N6O5S/c1-2-17-50(18-3-1)85-91-88(53-42-44-58-63-26-15-30-67(83(63)101-76(58)47-53)65-28-13-24-61-56-20-5-9-34-73(56)99-81(61)65)96-90(94-85)71-45-54(48-77-79(71)69-22-6-10-35-74(69)97-77)49-37-39-51(40-38-49)86-92-87(95-89(93-86)70-32-16-31-68-59-21-7-11-36-78(59)102-84(68)70)52-41-43-57-62-25-14-29-66(82(62)100-75(57)46-52)64-27-12-23-60-55-19-4-8-33-72(55)98-80(60)64/h1-48H
InChIKeyIQMKQGDHVAZFPL-UHFFFAOYSA-N
MW1325.48 g/mol
LogP24.92
Rot. Bonds9

About 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170141313) has the molecular formula C90H48N6O5S and a molecular weight of 1325.48 g/mol. Its IUPAC name is 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID170141313
Molecular FormulaC90H48N6O5S
Molecular Weight1325.48 g/mol
Exact Mass1324.34
IUPAC Name2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cc(-c4ccc(-c5nc(-c6ccc7c(c6)oc6c(-c8cccc9c8oc8ccccc89)cccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C90H48N6O5S/c1-2-17-50(18-3-1)85-91-88(53-42-44-58-63-26-15-30-67(83(63)101-76(58)47-53)65-28-13-24-61-56-20-5-9-34-73(56)99-81(61)65)96-90(94-85)71-45-54(48-77-79(71)69-22-6-10-35-74(69)97-77)49-37-39-51(40-38-49)86-92-87(95-89(93-86)70-32-16-31-68-59-21-7-11-36-78(59)102-84(68)70)52-41-43-57-62-25-14-29-66(82(62)100-75(57)46-52)64-27-12-23-60-55-19-4-8-33-72(55)98-80(60)64/h1-48H
InChIKeyIQMKQGDHVAZFPL-UHFFFAOYSA-N
XLogP24.92
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.48
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
2,4-diphenyl-6-[9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201721
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723669

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 170141313) is 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cc(-c4ccc(-c5nc(-c6ccc7c(c6)oc6c(-c8cccc9c8oc8ccccc89)cccc67)nc(-c6cccc7c6sc6ccccc67)n5)cc4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is IQMKQGDHVAZFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H48N6O5S/c1-2-17-50(18-3-1)85-91-88(53-42-44-58-63-26-15-30-67(83(63)101-76(58)47-53)65-28-13-24-61-56-20-5-9-34-73(56)99-81(61)65)96-90(94-85)71-45-54(48-77-79(71)69-22-6-10-35-74(69)97-77)49-37-39-51(40-38-49)86-92-87(95-89(93-86)70-32-16-31-68-59-21-7-11-36-78(59)102-84(68)70)52-41-43-57-62-25-14-29-66(82(62)100-75(57)46-52)64-27-12-23-60-55-19-4-8-33-72(55)98-80(60)64/h1-48H.
What are the key properties of 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 1325.48 g/mol, XLogP of 24.92, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170141313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).