3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole

C198H153N5O6S2 — CID 58059145

IUPAC3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8cccc9sc%10ccccc%10c89)c7)cc6c5c4)ccc32)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(CCCCCC)cc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(CCCCCC)cc7c6oc6ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(CCCCCC)cc9c8oc8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(CCCCCC)cc%11c%10oc%10ccc(-c%12cccc(-c%13cccc%14sc%15ccccc%15c%13%14)c%12)cc%10%11)cc89)cc67)cc45)cc3c2c1
InChIInChI=1S/C198H153N5O6S2/c1-6-11-16-21-44-119-95-161-156-114-132(125-50-41-52-139(106-125)141-61-43-70-191-193(141)148-59-32-39-68-189(148)211-191)78-90-183(156)205-194(161)176(100-119)200-167-63-34-27-54-143(167)150-108-127(72-84-172(150)200)134-80-92-185-158(116-134)163-97-121(46-23-18-13-8-3)102-178(196(163)207-185)202-169-65-36-29-56-145(169)152-110-129(74-86-174(152)202)136-82-94-187-160(118-136)165-99-123(48-25-20-15-10-5)104-180(198(165)209-187)203-170-66-37-30-57-146(170)153-111-130(75-87-175(153)203)137-81-93-186-159(117-137)164-98-122(47-24-19-14-9-4)103-179(197(164)208-186)201-168-64-35-28-55-144(168)151-109-128(73-85-173(151)201)135-79-91-184-157(115-135)162-96-120(45-22-17-12-7-2)101-177(195(162)206-184)199-166-62-33-26-53-142(166)149-107-126(71-83-171(149)199)133-77-89-182-155(113-133)154-112-131(76-88-181(154)204-182)124-49-40-51-138(105-124)140-60-42-69-190-192(140)147-58-31-38-67-188(147)210-190/h26-43,49-118H,6-25,44-48H2,1-5H3
InChIKeyNIAZBZAFPQBHHK-UHFFFAOYSA-N
MW2762.56 g/mol
LogP58.92
Rot. Bonds39

About 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole

3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole (PubChem CID 58059145) has the molecular formula C198H153N5O6S2 and a molecular weight of 2762.56 g/mol. Its IUPAC name is 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole
PubChem CID58059145
Molecular FormulaC198H153N5O6S2
Molecular Weight2762.56 g/mol
Exact Mass2760.13
IUPAC Name3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8cccc9sc%10ccccc%10c89)c7)cc6c5c4)ccc32)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(CCCCCC)cc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(CCCCCC)cc7c6oc6ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(CCCCCC)cc9c8oc8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(CCCCCC)cc%11c%10oc%10ccc(-c%12cccc(-c%13cccc%14sc%15ccccc%15c%13%14)c%12)cc%10%11)cc89)cc67)cc45)cc3c2c1
InChIInChI=1S/C198H153N5O6S2/c1-6-11-16-21-44-119-95-161-156-114-132(125-50-41-52-139(106-125)141-61-43-70-191-193(141)148-59-32-39-68-189(148)211-191)78-90-183(156)205-194(161)176(100-119)200-167-63-34-27-54-143(167)150-108-127(72-84-172(150)200)134-80-92-185-158(116-134)163-97-121(46-23-18-13-8-3)102-178(196(163)207-185)202-169-65-36-29-56-145(169)152-110-129(74-86-174(152)202)136-82-94-187-160(118-136)165-99-123(48-25-20-15-10-5)104-180(198(165)209-187)203-170-66-37-30-57-146(170)153-111-130(75-87-175(153)203)137-81-93-186-159(117-137)164-98-122(47-24-19-14-9-4)103-179(197(164)208-186)201-168-64-35-28-55-144(168)151-109-128(73-85-173(151)201)135-79-91-184-157(115-135)162-96-120(45-22-17-12-7-2)101-177(195(162)206-184)199-166-62-33-26-53-142(166)149-107-126(71-83-171(149)199)133-77-89-182-155(113-133)154-112-131(76-88-181(154)204-182)124-49-40-51-138(105-124)140-60-42-69-190-192(140)147-58-31-38-67-188(147)210-190/h26-43,49-118H,6-25,44-48H2,1-5H3
InChIKeyNIAZBZAFPQBHHK-UHFFFAOYSA-N
XLogP58.92
TPSA103.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002762.56
LogP ≤ 558.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232976
[8-(9-Dibenzofuran-4-ylcarbazol-3-yl)dibenzofuran-1-yl] thiohypofluorite
CID 145360930
N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;8-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]dibenzofuran-2-carbonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 157862635
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157918201
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035
9-[8-[3-Cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole
CID 158828017
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159281223
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 159840085
7,7-Dimethyl-5-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;9-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 160267457
CID 160672474
CID 160672474

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole?
The IUPAC name of 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole (CID 58059145) is 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole?
The canonical SMILES for 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole is CCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-c8cccc9sc%10ccccc%10c89)c7)cc6c5c4)ccc32)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(CCCCCC)cc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(CCCCCC)cc7c6oc6ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(CCCCCC)cc9c8oc8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(CCCCCC)cc%11c%10oc%10ccc(-c%12cccc(-c%13cccc%14sc%15ccccc%15c%13%14)c%12)cc%10%11)cc89)cc67)cc45)cc3c2c1.
What is the InChIKey of 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole?
The InChIKey is NIAZBZAFPQBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C198H153N5O6S2/c1-6-11-16-21-44-119-95-161-156-114-132(125-50-41-52-139(106-125)141-61-43-70-191-193(141)148-59-32-39-68-189(148)211-191)78-90-183(156)205-194(161)176(100-119)200-167-63-34-27-54-143(167)150-108-127(72-84-172(150)200)134-80-92-185-158(116-134)163-97-121(46-23-18-13-8-3)102-178(196(163)207-185)202-169-65-36-29-56-145(169)152-110-129(74-86-174(152)202)136-82-94-187-160(118-136)165-99-123(48-25-20-15-10-5)104-180(198(165)209-187)203-170-66-37-30-57-146(170)153-111-130(75-87-175(153)203)137-81-93-186-159(117-137)164-98-122(47-24-19-14-9-4)103-179(197(164)208-186)201-168-64-35-28-55-144(168)151-109-128(73-85-173(151)201)135-79-91-184-157(115-135)162-96-120(45-22-17-12-7-2)101-177(195(162)206-184)199-166-62-33-26-53-142(166)149-107-126(71-83-171(149)199)133-77-89-182-155(113-133)154-112-131(76-88-181(154)204-182)124-49-40-51-138(105-124)140-60-42-69-190-192(140)147-58-31-38-67-188(147)210-190/h26-43,49-118H,6-25,44-48H2,1-5H3.
What are the key properties of 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole?
3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole has a molecular weight of 2762.56 g/mol, XLogP of 58.92, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-dibenzothiophen-1-ylphenyl)dibenzofuran-2-yl]-9-[8-[9-[8-[9-[8-[9-[8-[9-[8-(3-dibenzothiophen-1-ylphenyl)-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazol-3-yl]-2-hexyldibenzofuran-4-yl]carbazole is sourced from PubChem (CID 58059145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).