2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine

C120H76N6O2S2 — CID 167197027

IUPAC2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccc(-c6cccc7c6oc6ccc(-c8cc(-c9ccc%10oc%11ccccc%11c%10c9)cc(-c9nc(-c%10ccccc%10-c%10ccccc%10)nc(-c%10cccc%11c%10sc%10ccccc%10%11)n9)c8)cc67)cc4-5)cc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c3)cc21
InChIInChI=1S/C120H76N6O2S2/c1-119(2)101-44-19-15-32-85(101)86-53-48-73(67-103(86)119)78-59-79(63-81(62-78)114-122-116(95-37-14-12-31-83(95)70-28-9-6-10-29-70)126-118(124-114)97-43-25-41-93-90-35-18-22-47-109(90)130-112(93)97)74-49-54-87-98-66-75(50-55-102(98)120(3,4)104(87)68-74)84-38-23-39-91-100-65-72(52-57-107(100)128-110(84)91)77-58-76(71-51-56-106-99(64-71)88-33-16-20-45-105(88)127-106)60-80(61-77)113-121-115(94-36-13-11-30-82(94)69-26-7-5-8-27-69)125-117(123-113)96-42-24-40-92-89-34-17-21-46-108(89)129-111(92)96/h5-68H,1-4H3
InChIKeySIZTZHSXTKKPLB-UHFFFAOYSA-N
MW1698.10 g/mol
LogP32.87
Rot. Bonds13

About 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine

2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 167197027) has the molecular formula C120H76N6O2S2 and a molecular weight of 1698.10 g/mol. Its IUPAC name is 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID167197027
Molecular FormulaC120H76N6O2S2
Molecular Weight1698.10 g/mol
Exact Mass1696.55
IUPAC Name2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccc(-c6cccc7c6oc6ccc(-c8cc(-c9ccc%10oc%11ccccc%11c%10c9)cc(-c9nc(-c%10ccccc%10-c%10ccccc%10)nc(-c%10cccc%11c%10sc%10ccccc%10%11)n9)c8)cc67)cc4-5)cc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c3)cc21
InChIInChI=1S/C120H76N6O2S2/c1-119(2)101-44-19-15-32-85(101)86-53-48-73(67-103(86)119)78-59-79(63-81(62-78)114-122-116(95-37-14-12-31-83(95)70-28-9-6-10-29-70)126-118(124-114)97-43-25-41-93-90-35-18-22-47-109(90)130-112(93)97)74-49-54-87-98-66-75(50-55-102(98)120(3,4)104(87)68-74)84-38-23-39-91-100-65-72(52-57-107(100)128-110(84)91)77-58-76(71-51-56-106-99(64-71)88-33-16-20-45-105(88)127-106)60-80(61-77)113-121-115(94-36-13-11-30-82(94)69-26-7-5-8-27-69)125-117(123-113)96-42-24-40-92-89-34-17-21-46-108(89)129-111(92)96/h5-68H,1-4H3
InChIKeySIZTZHSXTKKPLB-UHFFFAOYSA-N
XLogP32.87
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001698.10
LogP ≤ 532.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602523
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 157151341
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
10-dibenzofuran-2-yl-7,7-dimethylfluoreno[4,3-b][1]benzofuran;10-dibenzothiophen-2-yl-7,7-dimethylfluoreno[4,3-b][1]benzofuran;10-dibenzothiophen-4-yl-7,7-dimethylfluoreno[4,3-b][1]benzothiole;4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)dibenzofuran;10-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzothiole
CID 159241680
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2,6-diphenylpyridine;4-[4-(9,9-dimethyl-6-naphthalen-1-ylfluoren-2-yl)phenyl]dibenzofuran;2-[9,9-dimethyl-7-(6-phenyldibenzofuran-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159282220
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163633816
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine (CID 167197027) is 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccc(-c6cccc7c6oc6ccc(-c8cc(-c9ccc%10oc%11ccccc%11c%10c9)cc(-c9nc(-c%10ccccc%10-c%10ccccc%10)nc(-c%10cccc%11c%10sc%10ccccc%10%11)n9)c8)cc67)cc4-5)cc(-c4nc(-c5ccccc5-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c3)cc21.
What is the InChIKey of 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is SIZTZHSXTKKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H76N6O2S2/c1-119(2)101-44-19-15-32-85(101)86-53-48-73(67-103(86)119)78-59-79(63-81(62-78)114-122-116(95-37-14-12-31-83(95)70-28-9-6-10-29-70)126-118(124-114)97-43-25-41-93-90-35-18-22-47-109(90)130-112(93)97)74-49-54-87-98-66-75(50-55-102(98)120(3,4)104(87)68-74)84-38-23-39-91-100-65-72(52-57-107(100)128-110(84)91)77-58-76(71-51-56-106-99(64-71)88-33-16-20-45-105(88)127-106)60-80(61-77)113-121-115(94-36-13-11-30-82(94)69-26-7-5-8-27-69)125-117(123-113)96-42-24-40-92-89-34-17-21-46-108(89)129-111(92)96/h5-68H,1-4H3.
What are the key properties of 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine?
2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 1698.10 g/mol, XLogP of 32.87, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167197027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).