3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

C153H87F6N7O5S — CID 146343210

IUPAC3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)sc7cccc(-c9ccc%10c(ccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccc%13c(c%12)C%12(c%14ccccc%14O%13)c%13ccccc%13-c%13ccccc%13%12)n%11)c%10)c9)c78)cc6)nc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)n5)cc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C153H87F6N7O5S/c154-152(155,156)170-106-69-60-89(61-70-106)101-79-102(90-62-71-107(72-63-90)171-153(157,158)159)81-103(80-101)104-83-118(142-130(86-104)151(127-46-19-23-50-135(127)169-142)123-42-15-8-34-114(123)115-35-9-16-43-124(115)151)91-54-58-94(59-55-91)145-160-144(163-147(164-145)99-67-76-136-128(84-99)149(125-44-17-21-48-133(125)167-136)119-38-11-4-30-110(119)111-31-5-12-39-120(111)149)93-56-52-88(53-57-93)95-64-74-117-139(87-95)172-138-51-25-37-108(141(117)138)96-65-73-109-97(78-96)66-75-132-140(109)116-36-10-20-47-131(116)166(132)105-29-24-28-98(82-105)146-161-143(92-26-2-1-3-27-92)162-148(165-146)100-68-77-137-129(85-100)150(126-45-18-22-49-134(126)168-137)121-40-13-6-32-112(121)113-33-7-14-41-122(113)150/h1-87H
InChIKeyXWIQCXUQBNNLJF-UHFFFAOYSA-N
MW2249.48 g/mol
LogP39.88
Rot. Bonds15

About 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole

3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 146343210) has the molecular formula C153H87F6N7O5S and a molecular weight of 2249.48 g/mol. Its IUPAC name is 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
PubChem CID146343210
Molecular FormulaC153H87F6N7O5S
Molecular Weight2249.48 g/mol
Exact Mass2247.64
IUPAC Name3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)sc7cccc(-c9ccc%10c(ccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccc%13c(c%12)C%12(c%14ccccc%14O%13)c%13ccccc%13-c%13ccccc%13%12)n%11)c%10)c9)c78)cc6)nc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)n5)cc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C153H87F6N7O5S/c154-152(155,156)170-106-69-60-89(61-70-106)101-79-102(90-62-71-107(72-63-90)171-153(157,158)159)81-103(80-101)104-83-118(142-130(86-104)151(127-46-19-23-50-135(127)169-142)123-42-15-8-34-114(123)115-35-9-16-43-124(115)151)91-54-58-94(59-55-91)145-160-144(163-147(164-145)99-67-76-136-128(84-99)149(125-44-17-21-48-133(125)167-136)119-38-11-4-30-110(119)111-31-5-12-39-120(111)149)93-56-52-88(53-57-93)95-64-74-117-139(87-95)172-138-51-25-37-108(141(117)138)96-65-73-109-97(78-96)66-75-132-140(109)116-36-10-20-47-131(116)166(132)105-29-24-28-98(82-105)146-161-143(92-26-2-1-3-27-92)162-148(165-146)100-68-77-137-129(85-100)150(126-45-18-22-49-134(126)168-137)121-40-13-6-32-112(121)113-33-7-14-41-122(113)150/h1-87H
InChIKeyXWIQCXUQBNNLJF-UHFFFAOYSA-N
XLogP39.88
TPSA128.42 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002249.48
LogP ≤ 539.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (CID 146343210) is 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is FC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)sc7cccc(-c9ccc%10c(ccc%11c%10c%10ccccc%10n%11-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccc%13c(c%12)C%12(c%14ccccc%14O%13)c%13ccccc%13-c%13ccccc%13%12)n%11)c%10)c9)c78)cc6)nc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7ccccc76)n5)cc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is XWIQCXUQBNNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C153H87F6N7O5S/c154-152(155,156)170-106-69-60-89(61-70-106)101-79-102(90-62-71-107(72-63-90)171-153(157,158)159)81-103(80-101)104-83-118(142-130(86-104)151(127-46-19-23-50-135(127)169-142)123-42-15-8-34-114(123)115-35-9-16-43-124(115)151)91-54-58-94(59-55-91)145-160-144(163-147(164-145)99-67-76-136-128(84-99)149(125-44-17-21-48-133(125)167-136)119-38-11-4-30-110(119)111-31-5-12-39-120(111)149)93-56-52-88(53-57-93)95-64-74-117-139(87-95)172-138-51-25-37-108(141(117)138)96-65-73-109-97(78-96)66-75-132-140(109)116-36-10-20-47-131(116)166(132)105-29-24-28-98(82-105)146-161-143(92-26-2-1-3-27-92)162-148(165-146)100-68-77-137-129(85-100)150(126-45-18-22-49-134(126)168-137)121-40-13-6-32-112(121)113-33-7-14-41-122(113)150/h1-87H.
What are the key properties of 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole has a molecular weight of 2249.48 g/mol, XLogP of 39.88, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-[4-[4-[2'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 146343210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).