2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole

C157H99N11OS — CID 152991063

IUPAC2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)cc(-c8cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13c(cc%12%11)c%11cc(-c%12ccc%14sc%15ccc(-c%16ccc%17c(c%16)c%16cc%18c(cc%16n%17-c%16ccccc%16)-c%16ccccc%16C%18(C)C)cc%15c%14c%12)ccc%11n%13-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)c8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)cc4c3cc21
InChIInChI=1S/C157H99N11OS/c1-156(2)130-50-27-23-46-110(130)114-85-143-121(83-132(114)156)118-77-100(58-68-140(118)165(143)108-44-21-10-22-45-108)103-62-72-150-128(81-103)129-82-104(63-73-151(129)170-150)101-60-70-142-120(79-101)125-89-145-123(87-147(125)168(142)155-161-152(94-34-13-6-14-35-94)160-153(162-155)95-36-15-7-16-37-95)113-49-26-30-53-137(113)166(145)109-64-54-92(55-65-109)96-38-31-39-105(74-96)135-91-134(93-32-11-5-12-33-93)158-154(159-135)167-141-69-59-98(78-119(141)124-88-144-122(86-146(124)167)112-48-25-29-52-136(112)164(144)107-42-19-9-20-43-107)97-56-66-138-116(75-97)117-76-99(57-67-139(117)163(138)106-40-17-8-18-41-106)102-61-71-148-126(80-102)127-84-133-115(90-149(127)169-148)111-47-24-28-51-131(111)157(133,3)4/h5-91H,1-4H3
InChIKeyUWGXJHBQIFJSLP-UHFFFAOYSA-N
MW2187.66 g/mol
LogP41.13
Rot. Bonds15

About 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole

2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole (PubChem CID 152991063) has the molecular formula C157H99N11OS and a molecular weight of 2187.66 g/mol. Its IUPAC name is 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole
PubChem CID152991063
Molecular FormulaC157H99N11OS
Molecular Weight2187.66 g/mol
Exact Mass2185.78
IUPAC Name2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)cc(-c8cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13c(cc%12%11)c%11cc(-c%12ccc%14sc%15ccc(-c%16ccc%17c(c%16)c%16cc%18c(cc%16n%17-c%16ccccc%16)-c%16ccccc%16C%18(C)C)cc%15c%14c%12)ccc%11n%13-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)c8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)cc4c3cc21
InChIInChI=1S/C157H99N11OS/c1-156(2)130-50-27-23-46-110(130)114-85-143-121(83-132(114)156)118-77-100(58-68-140(118)165(143)108-44-21-10-22-45-108)103-62-72-150-128(81-103)129-82-104(63-73-151(129)170-150)101-60-70-142-120(79-101)125-89-145-123(87-147(125)168(142)155-161-152(94-34-13-6-14-35-94)160-153(162-155)95-36-15-7-16-37-95)113-49-26-30-53-137(113)166(145)109-64-54-92(55-65-109)96-38-31-39-105(74-96)135-91-134(93-32-11-5-12-33-93)158-154(159-135)167-141-69-59-98(78-119(141)124-88-144-122(86-146(124)167)112-48-25-29-52-136(112)164(144)107-42-19-9-20-43-107)97-56-66-138-116(75-97)117-76-99(57-67-139(117)163(138)106-40-17-8-18-41-106)102-61-71-148-126(80-102)127-84-133-115(90-149(127)169-148)111-47-24-28-51-131(111)157(133,3)4/h5-91H,1-4H3
InChIKeyUWGXJHBQIFJSLP-UHFFFAOYSA-N
XLogP41.13
TPSA107.17 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.66
LogP ≤ 541.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole (CID 152991063) is 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7nc(-c8ccccc8)cc(-c8cccc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13c(cc%12%11)c%11cc(-c%12ccc%14sc%15ccc(-c%16ccc%17c(c%16)c%16cc%18c(cc%16n%17-c%16ccccc%16)-c%16ccccc%16C%18(C)C)cc%15c%14c%12)ccc%11n%13-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)c8)n7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ccccc5)cc4c3cc21.
What is the InChIKey of 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole?
The InChIKey is UWGXJHBQIFJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C157H99N11OS/c1-156(2)130-50-27-23-46-110(130)114-85-143-121(83-132(114)156)118-77-100(58-68-140(118)165(143)108-44-21-10-22-45-108)103-62-72-150-128(81-103)129-82-104(63-73-151(129)170-150)101-60-70-142-120(79-101)125-89-145-123(87-147(125)168(142)155-161-152(94-34-13-6-14-35-94)160-153(162-155)95-36-15-7-16-37-95)113-49-26-30-53-137(113)166(145)109-64-54-92(55-65-109)96-38-31-39-105(74-96)135-91-134(93-32-11-5-12-33-93)158-154(159-135)167-141-69-59-98(78-119(141)124-88-144-122(86-146(124)167)112-48-25-29-52-136(112)164(144)107-42-19-9-20-43-107)97-56-66-138-116(75-97)117-76-99(57-67-139(117)163(138)106-40-17-8-18-41-106)102-61-71-148-126(80-102)127-84-133-115(90-149(127)169-148)111-47-24-28-51-131(111)157(133,3)4/h5-91H,1-4H3.
What are the key properties of 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole?
2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole has a molecular weight of 2187.66 g/mol, XLogP of 41.13, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 152991063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).