3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole

C151H90F6N12S3 — CID 155233312

IUPAC3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C)c3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C151H90F6N12S3/c1-87-35-21-22-48-101(87)115-86-131-119(85-114(115)110-72-70-106(138-113-53-27-32-61-134(113)172-140(110)138)97-65-75-129(121(81-97)148-163-143(91-40-13-5-14-41-91)159-144(164-148)92-42-15-6-16-43-92)168-126-77-67-99(150(152,153)154)83-117(126)118-84-100(151(155,156)157)68-78-127(118)168)108-50-24-29-58-124(108)169(131)130-76-66-98(82-122(130)149-165-145(93-44-17-7-18-45-93)160-146(166-149)94-46-19-8-20-47-94)105-69-71-109(139-137(105)112-52-26-31-60-133(112)171-139)103-55-33-54-102(88(103)2)95-63-73-125-116(79-95)107-49-23-28-57-123(107)167(125)128-74-64-96(104-56-34-62-135-136(104)111-51-25-30-59-132(111)170-135)80-120(128)147-161-141(89-36-9-3-10-37-89)158-142(162-147)90-38-11-4-12-39-90/h3-86H,1-2H3
InChIKeyZDFVBNNEZWWADJ-UHFFFAOYSA-N
MW2282.65 g/mol
LogP41.96
Rot. Bonds19

About 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole

3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (PubChem CID 155233312) has the molecular formula C151H90F6N12S3 and a molecular weight of 2282.65 g/mol. Its IUPAC name is 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
PubChem CID155233312
Molecular FormulaC151H90F6N12S3
Molecular Weight2282.65 g/mol
Exact Mass2280.65
IUPAC Name3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C)c3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C151H90F6N12S3/c1-87-35-21-22-48-101(87)115-86-131-119(85-114(115)110-72-70-106(138-113-53-27-32-61-134(113)172-140(110)138)97-65-75-129(121(81-97)148-163-143(91-40-13-5-14-41-91)159-144(164-148)92-42-15-6-16-43-92)168-126-77-67-99(150(152,153)154)83-117(126)118-84-100(151(155,156)157)68-78-127(118)168)108-50-24-29-58-124(108)169(131)130-76-66-98(82-122(130)149-165-145(93-44-17-7-18-45-93)160-146(166-149)94-46-19-8-20-47-94)105-69-71-109(139-137(105)112-52-26-31-60-133(112)171-139)103-55-33-54-102(88(103)2)95-63-73-125-116(79-95)107-49-23-28-57-123(107)167(125)128-74-64-96(104-56-34-62-135-136(104)111-51-25-30-59-132(111)170-135)80-120(128)147-161-141(89-36-9-3-10-37-89)158-142(162-147)90-38-11-4-12-39-90/h3-86H,1-2H3
InChIKeyZDFVBNNEZWWADJ-UHFFFAOYSA-N
XLogP41.96
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.65
LogP ≤ 541.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The IUPAC name of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (CID 155233312) is 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.
What is the SMILES notation for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The canonical SMILES for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is Cc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C)c3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The InChIKey is ZDFVBNNEZWWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C151H90F6N12S3/c1-87-35-21-22-48-101(87)115-86-131-119(85-114(115)110-72-70-106(138-113-53-27-32-61-134(113)172-140(110)138)97-65-75-129(121(81-97)148-163-143(91-40-13-5-14-41-91)159-144(164-148)92-42-15-6-16-43-92)168-126-77-67-99(150(152,153)154)83-117(126)118-84-100(151(155,156)157)68-78-127(118)168)108-50-24-29-58-124(108)169(131)130-76-66-98(82-122(130)149-165-145(93-44-17-7-18-45-93)160-146(166-149)94-46-19-8-20-47-94)105-69-71-109(139-137(105)112-52-26-31-60-133(112)171-139)103-55-33-54-102(88(103)2)95-63-73-125-116(79-95)107-49-23-28-57-123(107)167(125)128-74-64-96(104-56-34-62-135-136(104)111-51-25-30-59-132(111)170-135)80-120(128)147-161-141(89-36-9-3-10-37-89)158-142(162-147)90-38-11-4-12-39-90/h3-86H,1-2H3.
What are the key properties of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole has a molecular weight of 2282.65 g/mol, XLogP of 41.96, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is sourced from PubChem (CID 155233312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).