2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

C90H52N6O2S2 — CID 155329850

IUPAC2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4c(-c5ccc(-c6nc(-c7ccc(-c8cccc(-c9ccc%10sc%11c(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccc%15oc%16ccccc%16c%15c%14)n%13)cc%12)cccc%11c%10c9)c8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cccc4c3c2)cc1
InChIInChI=1S/C90H52N6O2S2/c1-3-15-53(16-4-1)63-44-47-80-74(50-63)69-25-12-23-66(83(69)99-80)56-35-41-60(42-36-56)88-92-87(95-90(96-88)72-27-14-30-79-82(72)71-22-8-10-29-77(71)98-79)58-37-31-54(32-38-58)61-19-11-20-62(49-61)64-45-48-81-75(51-64)70-26-13-24-67(84(70)100-81)55-33-39-59(40-34-55)86-91-85(57-17-5-2-6-18-57)93-89(94-86)65-43-46-78-73(52-65)68-21-7-9-28-76(68)97-78/h1-52H
InChIKeyUWLWWGHVAUZILV-UHFFFAOYSA-N
MW1313.58 g/mol
LogP24.93
Rot. Bonds11

About 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (PubChem CID 155329850) has the molecular formula C90H52N6O2S2 and a molecular weight of 1313.58 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
PubChem CID155329850
Molecular FormulaC90H52N6O2S2
Molecular Weight1313.58 g/mol
Exact Mass1312.36
IUPAC Name2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4c(-c5ccc(-c6nc(-c7ccc(-c8cccc(-c9ccc%10sc%11c(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccc%15oc%16ccccc%16c%15c%14)n%13)cc%12)cccc%11c%10c9)c8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cccc4c3c2)cc1
InChIInChI=1S/C90H52N6O2S2/c1-3-15-53(16-4-1)63-44-47-80-74(50-63)69-25-12-23-66(83(69)99-80)56-35-41-60(42-36-56)88-92-87(95-90(96-88)72-27-14-30-79-82(72)71-22-8-10-29-77(71)98-79)58-37-31-54(32-38-58)61-19-11-20-62(49-61)64-45-48-81-75(51-64)70-26-13-24-67(84(70)100-81)55-33-39-59(40-34-55)86-91-85(57-17-5-2-6-18-57)93-89(94-86)65-43-46-78-73(52-65)68-21-7-9-28-76(68)97-78/h1-52H
InChIKeyUWLWWGHVAUZILV-UHFFFAOYSA-N
XLogP24.93
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.58
LogP ≤ 524.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154603841
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (CID 155329850) is 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3sc4c(-c5ccc(-c6nc(-c7ccc(-c8cccc(-c9ccc%10sc%11c(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14ccc%15oc%16ccccc%16c%15c%14)n%13)cc%12)cccc%11c%10c9)c8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cccc4c3c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is UWLWWGHVAUZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H52N6O2S2/c1-3-15-53(16-4-1)63-44-47-80-74(50-63)69-25-12-23-66(83(69)99-80)56-35-41-60(42-36-56)88-92-87(95-90(96-88)72-27-14-30-79-82(72)71-22-8-10-29-77(71)98-79)58-37-31-54(32-38-58)61-19-11-20-62(49-61)64-45-48-81-75(51-64)70-26-13-24-67(84(70)100-81)55-33-39-59(40-34-55)86-91-85(57-17-5-2-6-18-57)93-89(94-86)65-43-46-78-73(52-65)68-21-7-9-28-76(68)97-78/h1-52H.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 1313.58 g/mol, XLogP of 24.93, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155329850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).