5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C128H70F6N10O2S2 — CID 138554689

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6cccc(C(F)(F)F)c6-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)c3)n2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C128H70F6N10O2S2/c129-127(130,131)93-42-25-48-101(143-96-45-18-11-39-87(96)114-104(143)63-57-83-80-36-15-22-51-108(80)146-118(83)114)111(93)91-70-78(53-60-99(91)141-95-44-17-10-38-86(95)113-103(141)62-56-82-79-35-14-21-50-107(79)145-117(82)113)126-139-123(73-31-8-3-9-32-73)136-124(140-126)76-34-24-33-74(67-76)75-55-66-110-90(68-75)85-59-65-106-116(120(85)148-110)89-41-13-20-47-98(89)144(106)102-49-26-43-94(128(132,133)134)112(102)92-69-77(125-137-121(71-27-4-1-5-28-71)135-122(138-125)72-29-6-2-7-30-72)54-61-100(92)142-97-46-19-12-40-88(97)115-105(142)64-58-84-81-37-16-23-52-109(81)147-119(84)115/h1-70H
InChIKeyMKOFYYPBNMIQOU-UHFFFAOYSA-N
MW1958.16 g/mol
LogP36.02
Rot. Bonds13

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138554689) has the molecular formula C128H70F6N10O2S2 and a molecular weight of 1958.16 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138554689
Molecular FormulaC128H70F6N10O2S2
Molecular Weight1958.16 g/mol
Exact Mass1956.50
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6cccc(C(F)(F)F)c6-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)c3)n2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C128H70F6N10O2S2/c129-127(130,131)93-42-25-48-101(143-96-45-18-11-39-87(96)114-104(143)63-57-83-80-36-15-22-51-108(80)146-118(83)114)111(93)91-70-78(53-60-99(91)141-95-44-17-10-38-86(95)113-103(141)62-56-82-79-35-14-21-50-107(79)145-117(82)113)126-139-123(73-31-8-3-9-32-73)136-124(140-126)76-34-24-33-74(67-76)75-55-66-110-90(68-75)85-59-65-106-116(120(85)148-110)89-41-13-20-47-98(89)144(106)102-49-26-43-94(128(132,133)134)112(102)92-69-77(125-137-121(71-27-4-1-5-28-71)135-122(138-125)72-29-6-2-7-30-72)54-61-100(92)142-97-46-19-12-40-88(97)115-105(142)64-58-84-81-37-16-23-52-109(81)147-119(84)115/h1-70H
InChIKeyMKOFYYPBNMIQOU-UHFFFAOYSA-N
XLogP36.02
TPSA123.34 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.16
LogP ≤ 536.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 138554689) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5sc6c(ccc7c6c6ccccc6n7-c6cccc(C(F)(F)F)c6-c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5c4)c3)n2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MKOFYYPBNMIQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H70F6N10O2S2/c129-127(130,131)93-42-25-48-101(143-96-45-18-11-39-87(96)114-104(143)63-57-83-80-36-15-22-51-108(80)146-118(83)114)111(93)91-70-78(53-60-99(91)141-95-44-17-10-38-86(95)113-103(141)62-56-82-79-35-14-21-50-107(79)145-117(82)113)126-139-123(73-31-8-3-9-32-73)136-124(140-126)76-34-24-33-74(67-76)75-55-66-110-90(68-75)85-59-65-106-116(120(85)148-110)89-41-13-20-47-98(89)144(106)102-49-26-43-94(128(132,133)134)112(102)92-69-77(125-137-121(71-27-4-1-5-28-71)135-122(138-125)72-29-6-2-7-30-72)54-61-100(92)142-97-46-19-12-40-88(97)115-105(142)64-58-84-81-37-16-23-52-109(81)147-119(84)115/h1-70H.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1958.16 g/mol, XLogP of 36.02, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).