2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine

C171H101N9S6 — CID 155470926

IUPAC2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)sc8cccc(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc(-c%13ccc%14sc%15ccccc%15c%14c%13)c%12)n%11)c%11c%10sc%10ccc(-c%12ccccc%12-c%12ccc(-c%13cccc(-c%14cc(-c%15nc(-c%16ccccc%16)nc(-c%16cccc(-c%17cccc%18c%17sc%17ccccc%17%18)c%16)n%15)c%15c(c%14)sc%14ccc(-c%16ccccc%16-c%16ccc(-c%17ccccc%17)cc%16)cc%14%15)c%13)cc%12)cc%10%11)c89)c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C171H101N9S6/c1-6-33-102(34-7-1)104-67-73-107(74-68-104)127-51-16-19-54-130(127)120-81-88-150-143(96-120)158-140(62-32-66-154(158)182-150)169-175-163(110-37-10-3-11-38-110)172-166(178-169)124-49-28-45-115(93-124)118-79-84-139-155(100-118)184-153-65-31-60-136(157(139)153)138-85-86-141(170-176-164(111-39-12-4-13-40-111)173-167(179-170)123-48-27-44-114(92-123)117-80-87-149-142(95-117)135-58-23-24-63-147(135)181-149)160-145-98-122(83-90-152(145)186-162(138)160)132-56-21-18-53-129(132)109-77-71-106(72-78-109)113-43-26-46-116(91-113)126-99-146(159-144-97-121(82-89-151(144)183-156(159)101-126)131-55-20-17-52-128(131)108-75-69-105(70-76-108)103-35-8-2-9-36-103)171-177-165(112-41-14-5-15-42-112)174-168(180-171)125-50-29-47-119(94-125)133-59-30-61-137-134-57-22-25-64-148(134)185-161(133)137/h1-101H
InChIKeyNUHOLFDDLPKQLJ-UHFFFAOYSA-N
MW2474.15 g/mol
LogP48.79
Rot. Bonds23

About 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine

2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 155470926) has the molecular formula C171H101N9S6 and a molecular weight of 2474.15 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID155470926
Molecular FormulaC171H101N9S6
Molecular Weight2474.15 g/mol
Exact Mass2471.65
IUPAC Name2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)sc8cccc(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc(-c%13ccc%14sc%15ccccc%15c%14c%13)c%12)n%11)c%11c%10sc%10ccc(-c%12ccccc%12-c%12ccc(-c%13cccc(-c%14cc(-c%15nc(-c%16ccccc%16)nc(-c%16cccc(-c%17cccc%18c%17sc%17ccccc%17%18)c%16)n%15)c%15c(c%14)sc%14ccc(-c%16ccccc%16-c%16ccc(-c%17ccccc%17)cc%16)cc%14%15)c%13)cc%12)cc%10%11)c89)c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C171H101N9S6/c1-6-33-102(34-7-1)104-67-73-107(74-68-104)127-51-16-19-54-130(127)120-81-88-150-143(96-120)158-140(62-32-66-154(158)182-150)169-175-163(110-37-10-3-11-38-110)172-166(178-169)124-49-28-45-115(93-124)118-79-84-139-155(100-118)184-153-65-31-60-136(157(139)153)138-85-86-141(170-176-164(111-39-12-4-13-40-111)173-167(179-170)123-48-27-44-114(92-123)117-80-87-149-142(95-117)135-58-23-24-63-147(135)181-149)160-145-98-122(83-90-152(145)186-162(138)160)132-56-21-18-53-129(132)109-77-71-106(72-78-109)113-43-26-46-116(91-113)126-99-146(159-144-97-121(82-89-151(144)183-156(159)101-126)131-55-20-17-52-128(131)108-75-69-105(70-76-108)103-35-8-2-9-36-103)171-177-165(112-41-14-5-15-42-112)174-168(180-171)125-50-29-47-119(94-125)133-59-30-61-137-134-57-22-25-64-148(134)185-161(133)137/h1-101H
InChIKeyNUHOLFDDLPKQLJ-UHFFFAOYSA-N
XLogP48.79
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.15
LogP ≤ 548.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-phenyl-4-[7-(2-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200225
2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199475
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 161322655
2-dibenzothiophen-1-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 162165109

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine (CID 155470926) is 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)sc8cccc(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc(-c%13ccc%14sc%15ccccc%15c%14c%13)c%12)n%11)c%11c%10sc%10ccc(-c%12ccccc%12-c%12ccc(-c%13cccc(-c%14cc(-c%15nc(-c%16ccccc%16)nc(-c%16cccc(-c%17cccc%18c%17sc%17ccccc%17%18)c%16)n%15)c%15c(c%14)sc%14ccc(-c%16ccccc%16-c%16ccc(-c%17ccccc%17)cc%16)cc%14%15)c%13)cc%12)cc%10%11)c89)c7)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is NUHOLFDDLPKQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C171H101N9S6/c1-6-33-102(34-7-1)104-67-73-107(74-68-104)127-51-16-19-54-130(127)120-81-88-150-143(96-120)158-140(62-32-66-154(158)182-150)169-175-163(110-37-10-3-11-38-110)172-166(178-169)124-49-28-45-115(93-124)118-79-84-139-155(100-118)184-153-65-31-60-136(157(139)153)138-85-86-141(170-176-164(111-39-12-4-13-40-111)173-167(179-170)123-48-27-44-114(92-123)117-80-87-149-142(95-117)135-58-23-24-63-147(135)181-149)160-145-98-122(83-90-152(145)186-162(138)160)132-56-21-18-53-129(132)109-77-71-106(72-78-109)113-43-26-46-116(91-113)126-99-146(159-144-97-121(82-89-151(144)183-156(159)101-126)131-55-20-17-52-128(131)108-75-69-105(70-76-108)103-35-8-2-9-36-103)171-177-165(112-41-14-5-15-42-112)174-168(180-171)125-50-29-47-119(94-125)133-59-30-61-137-134-57-22-25-64-148(134)185-161(133)137/h1-101H.
What are the key properties of 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine?
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 2474.15 g/mol, XLogP of 48.79, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155470926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).