1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole

C174H109N3O2S4 — CID 161214672

IUPAC1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C62H39NO2.C62H39NS2.C50H31NS2/c1-5-13-40(14-6-1)44-21-26-58-52(34-44)57(43-19-11-4-12-20-43)39-63(58)51-32-49(47-24-29-61-55(37-47)53-35-45(22-27-59(53)64-61)41-15-7-2-8-16-41)31-50(33-51)48-25-30-62-56(38-48)54-36-46(23-28-60(54)65-62)42-17-9-3-10-18-42;1-3-13-40(14-4-1)42-25-27-44(28-26-42)46-33-34-58-56(38-46)57(45-31-29-43(30-32-45)41-15-5-2-6-16-41)39-63(58)49-36-47(50-19-11-21-54-52-17-7-9-23-59(52)64-61(50)54)35-48(37-49)51-20-12-22-55-53-18-8-10-24-60(53)65-62(51)55;1-3-13-32(14-4-1)34-25-26-46-44(30-34)45(33-15-5-2-6-16-33)31-51(46)37-28-35(38-19-11-21-42-40-17-7-9-23-47(40)52-49(38)42)27-36(29-37)39-20-12-22-43-41-18-8-10-24-48(41)53-50(39)43/h2*1-39H;1-31H
InChIKeyUWRSXGNLVNPIAR-UHFFFAOYSA-N
MW2402.07 g/mol
LogP50.83
Rot. Bonds19

About 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole

1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole (PubChem CID 161214672) has the molecular formula C174H109N3O2S4 and a molecular weight of 2402.07 g/mol. Its IUPAC name is 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole.

Molecular Properties

Compound Name1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole
PubChem CID161214672
Molecular FormulaC174H109N3O2S4
Molecular Weight2402.07 g/mol
Exact Mass2399.74
IUPAC Name1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C62H39NO2.C62H39NS2.C50H31NS2/c1-5-13-40(14-6-1)44-21-26-58-52(34-44)57(43-19-11-4-12-20-43)39-63(58)51-32-49(47-24-29-61-55(37-47)53-35-45(22-27-59(53)64-61)41-15-7-2-8-16-41)31-50(33-51)48-25-30-62-56(38-48)54-36-46(23-28-60(54)65-62)42-17-9-3-10-18-42;1-3-13-40(14-4-1)42-25-27-44(28-26-42)46-33-34-58-56(38-46)57(45-31-29-43(30-32-45)41-15-5-2-6-16-41)39-63(58)49-36-47(50-19-11-21-54-52-17-7-9-23-59(52)64-61(50)54)35-48(37-49)51-20-12-22-55-53-18-8-10-24-60(53)65-62(51)55;1-3-13-32(14-4-1)34-25-26-46-44(30-34)45(33-15-5-2-6-16-33)31-51(46)37-28-35(38-19-11-21-42-40-17-7-9-23-47(40)52-49(38)42)27-36(29-37)39-20-12-22-43-41-18-8-10-24-48(41)53-50(39)43/h2*1-39H;1-31H
InChIKeyUWRSXGNLVNPIAR-UHFFFAOYSA-N
XLogP50.83
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002402.07
LogP ≤ 550.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole 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
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
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
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158307601
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 159986129

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole?
The IUPAC name of 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole (CID 161214672) is 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole.
What is the SMILES notation for 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole?
The canonical SMILES for 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole is c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c2)cc1.c1ccc(-c2ccc3c(c2)c(-c2ccccc2)cn3-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole?
The InChIKey is UWRSXGNLVNPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2.C62H39NS2.C50H31NS2/c1-5-13-40(14-6-1)44-21-26-58-52(34-44)57(43-19-11-4-12-20-43)39-63(58)51-32-49(47-24-29-61-55(37-47)53-35-45(22-27-59(53)64-61)41-15-7-2-8-16-41)31-50(33-51)48-25-30-62-56(38-48)54-36-46(23-28-60(54)65-62)42-17-9-3-10-18-42;1-3-13-40(14-4-1)42-25-27-44(28-26-42)46-33-34-58-56(38-46)57(45-31-29-43(30-32-45)41-15-5-2-6-16-41)39-63(58)49-36-47(50-19-11-21-54-52-17-7-9-23-59(52)64-61(50)54)35-48(37-49)51-20-12-22-55-53-18-8-10-24-60(53)65-62(51)55;1-3-13-32(14-4-1)34-25-26-46-44(30-34)45(33-15-5-2-6-16-33)31-51(46)37-28-35(38-19-11-21-42-40-17-7-9-23-47(40)52-49(38)42)27-36(29-37)39-20-12-22-43-41-18-8-10-24-48(41)53-50(39)43/h2*1-39H;1-31H.
What are the key properties of 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole?
1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole has a molecular weight of 2402.07 g/mol, XLogP of 50.83, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-3,5-diphenylindole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-diphenylindole is sourced from PubChem (CID 161214672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).