bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene

C279H172N8OS5 — CID 157142613

IUPACbis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
SMILESO=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)nc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C51H30O.C48H30.C40H26.C39H25N5.C36H22N2S.C36H22S2.C29H17NS2/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32;1-3-16-26-18(8-1)20-10-5-12-22(28(20)31-26)24-14-7-15-25(30-24)23-13-6-11-21-19-9-2-4-17-27(19)32-29(21)23/h1-30H;1-30H;1-26H;1-25H;1-22H;1-22H;1-17H
InChIKeyAKIYQGSMDRAOQR-UHFFFAOYSA-N
MW3812.83 g/mol
LogP76.74
Rot. Bonds19

About bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene

bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene (PubChem CID 157142613) has the molecular formula C279H172N8OS5 and a molecular weight of 3812.83 g/mol. Its IUPAC name is bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene.

Molecular Properties

Compound Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
PubChem CID157142613
Molecular FormulaC279H172N8OS5
Molecular Weight3812.83 g/mol
Exact Mass3809.23
IUPAC Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
SMILESO=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)nc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C51H30O.C48H30.C40H26.C39H25N5.C36H22N2S.C36H22S2.C29H17NS2/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32;1-3-16-26-18(8-1)20-10-5-12-22(28(20)31-26)24-14-7-15-25(30-24)23-13-6-11-21-19-9-2-4-17-27(19)32-29(21)23/h1-30H;1-30H;1-26H;1-25H;1-22H;1-22H;1-17H
InChIKeyAKIYQGSMDRAOQR-UHFFFAOYSA-N
XLogP76.74
TPSA88.35 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003812.83
LogP ≤ 576.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene?
The IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene (CID 157142613) is bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene.
What is the SMILES notation for bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene?
The canonical SMILES for bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene is O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)nc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene?
The InChIKey is AKIYQGSMDRAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O.C48H30.C40H26.C39H25N5.C36H22N2S.C36H22S2.C29H17NS2/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32;1-3-16-26-18(8-1)20-10-5-12-22(28(20)31-26)24-14-7-15-25(30-24)23-13-6-11-21-19-9-2-4-17-27(19)32-29(21)23/h1-30H;1-30H;1-26H;1-25H;1-22H;1-22H;1-17H.
What are the key properties of bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene?
bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene has a molecular weight of 3812.83 g/mol, XLogP of 76.74, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene is sourced from PubChem (CID 157142613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).