6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C119H71N13S — CID 139315785

IUPAC6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nccc6c5sc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)nc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)n7)c6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C119H71N13S/c1-5-29-72(30-6-1)73-55-57-75(58-56-73)114-122-115(79-35-27-33-76(67-79)77-59-63-105-95(69-77)88-45-17-24-52-102(88)130(105)117-112-92(65-66-120-117)96-70-83(60-64-106(96)133-112)127-98-48-20-13-41-84(98)85-42-14-21-49-99(85)127)126-119(124-114)132-104-54-26-19-47-93(104)107-94(71-97-89-46-18-23-51-101(89)129(110(97)111(107)132)82-39-11-4-12-40-82)78-34-28-36-80(68-78)116-121-113(74-31-7-2-8-32-74)123-118(125-116)131-103-53-25-16-44-87(103)91-62-61-90-86-43-15-22-50-100(86)128(108(90)109(91)131)81-37-9-3-10-38-81/h1-71H
InChIKeyWJGCNBZRYLLLGI-UHFFFAOYSA-N
MW1715.03 g/mol
LogP30.07
Rot. Bonds13

About 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 139315785) has the molecular formula C119H71N13S and a molecular weight of 1715.03 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID139315785
Molecular FormulaC119H71N13S
Molecular Weight1715.03 g/mol
Exact Mass1713.57
IUPAC Name6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nccc6c5sc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)nc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)n7)c6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C119H71N13S/c1-5-29-72(30-6-1)73-55-57-75(58-56-73)114-122-115(79-35-27-33-76(67-79)77-59-63-105-95(69-77)88-45-17-24-52-102(88)130(105)117-112-92(65-66-120-117)96-70-83(60-64-106(96)133-112)127-98-48-20-13-41-84(98)85-42-14-21-49-99(85)127)126-119(124-114)132-104-54-26-19-47-93(104)107-94(71-97-89-46-18-23-51-101(89)129(110(97)111(107)132)82-39-11-4-12-40-82)78-34-28-36-80(68-78)116-121-113(74-31-7-2-8-32-74)123-118(125-116)131-103-53-25-16-44-87(103)91-62-61-90-86-43-15-22-50-100(86)128(108(90)109(91)131)81-37-9-3-10-38-81/h1-71H
InChIKeyWJGCNBZRYLLLGI-UHFFFAOYSA-N
XLogP30.07
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.03
LogP ≤ 530.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

6-[3,6-Bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129302953
3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
CID 134429102
3-Isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 140850527
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 156659137
7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 158035796
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158339769
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158388094
2-[3,5-Bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 158731428
12-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 159427920
2-Tert-butyl-5-(1-phenylimidazol-2-yl)pyrimidine;1-cyclohexyl-2-(3-phenylphenyl)benzimidazole;5-(1-cyclopentylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine;2-(3-isocyanophenyl)-1-(2,4,6-trimethylphenyl)imidazole;1-(2-methylphenyl)-2-phenylimidazole;2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)imidazole;2-phenyl-1-thiophen-3-ylimidazole;2-[2-(4-propan-2-ylphenyl)imidazol-1-yl]pyridine
CID 159857686
2,6-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 160568908
2,6-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 161454266

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 139315785) is 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5nccc6c5sc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)nc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)n7)c6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is WJGCNBZRYLLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H71N13S/c1-5-29-72(30-6-1)73-55-57-75(58-56-73)114-122-115(79-35-27-33-76(67-79)77-59-63-105-95(69-77)88-45-17-24-52-102(88)130(105)117-112-92(65-66-120-117)96-70-83(60-64-106(96)133-112)127-98-48-20-13-41-84(98)85-42-14-21-49-99(85)127)126-119(124-114)132-104-54-26-19-47-93(104)107-94(71-97-89-46-18-23-51-101(89)129(110(97)111(107)132)82-39-11-4-12-40-82)78-34-28-36-80(68-78)116-121-113(74-31-7-2-8-32-74)123-118(125-116)131-103-53-25-16-44-87(103)91-62-61-90-86-43-15-22-50-100(86)128(108(90)109(91)131)81-37-9-3-10-38-81/h1-71H.
What are the key properties of 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1715.03 g/mol, XLogP of 30.07, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-[3-[3-[4-(4-phenylphenyl)-6-[11-phenyl-5-[3-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 139315785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).