3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one

C168H116N6O6S6Si2 — CID 159353540

IUPAC3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1C3(C)C.C[Si]1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1[Si]3(C)C.O=c1c2ccccc2sc2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3N5c3ccc4c(=O)c5ccccc5sc4c3)ccc12
InChIInChI=1S/C70H44N2O2S2.C50H36N2O2S2.C48H36N2O2S2Si2/c73-67-51-29-13-19-35-63(51)75-65-41-49(37-39-53(65)67)71-59-33-17-15-31-55(59)69(45-21-5-1-6-22-45,46-23-7-2-8-24-46)57-43-62-58(44-61(57)71)70(47-25-9-3-10-26-47,48-27-11-4-12-28-48)56-32-16-18-34-60(56)72(62)50-38-40-54-66(42-50)76-64-36-20-14-30-52(64)68(54)74;1-49(2)35-15-7-9-17-39(35)51(29-21-23-33-45(25-29)55-43-19-11-5-13-31(43)47(33)53)41-28-38-42(27-37(41)49)52(40-18-10-8-16-36(40)50(38,3)4)30-22-24-34-46(26-30)56-44-20-12-6-14-32(44)48(34)54;1-55(2)43-19-11-7-15-35(43)49(29-21-23-33-41(25-29)53-39-17-9-5-13-31(39)47(33)51)37-28-46-38(27-45(37)55)50(36-16-8-12-20-44(36)56(46,3)4)30-22-24-34-42(26-30)54-40-18-10-6-14-32(40)48(34)52/h1-44H;2*5-28H,1-4H3
InChIKeyLHQAQYUCHRDSNK-UHFFFAOYSA-N
MW2563.39 g/mol
LogP41.19
Rot. Bonds10

About 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one

3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one (PubChem CID 159353540) has the molecular formula C168H116N6O6S6Si2 and a molecular weight of 2563.39 g/mol. Its IUPAC name is 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one.

Molecular Properties

Compound Name3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one
PubChem CID159353540
Molecular FormulaC168H116N6O6S6Si2
Molecular Weight2563.39 g/mol
Exact Mass2560.68
IUPAC Name3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1C3(C)C.C[Si]1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1[Si]3(C)C.O=c1c2ccccc2sc2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3N5c3ccc4c(=O)c5ccccc5sc4c3)ccc12
InChIInChI=1S/C70H44N2O2S2.C50H36N2O2S2.C48H36N2O2S2Si2/c73-67-51-29-13-19-35-63(51)75-65-41-49(37-39-53(65)67)71-59-33-17-15-31-55(59)69(45-21-5-1-6-22-45,46-23-7-2-8-24-46)57-43-62-58(44-61(57)71)70(47-25-9-3-10-26-47,48-27-11-4-12-28-48)56-32-16-18-34-60(56)72(62)50-38-40-54-66(42-50)76-64-36-20-14-30-52(64)68(54)74;1-49(2)35-15-7-9-17-39(35)51(29-21-23-33-45(25-29)55-43-19-11-5-13-31(43)47(33)53)41-28-38-42(27-37(41)49)52(40-18-10-8-16-36(40)50(38,3)4)30-22-24-34-46(26-30)56-44-20-12-6-14-32(44)48(34)54;1-55(2)43-19-11-7-15-35(43)49(29-21-23-33-41(25-29)53-39-17-9-5-13-31(39)47(33)51)37-28-46-38(27-45(37)55)50(36-16-8-12-20-44(36)56(46,3)4)30-22-24-34-42(26-30)54-40-18-10-6-14-32(40)48(34)52/h1-44H;2*5-28H,1-4H3
InChIKeyLHQAQYUCHRDSNK-UHFFFAOYSA-N
XLogP41.19
TPSA121.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.39
LogP ≤ 541.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one with MolForge

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Related Compounds

3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one
CID 130396356
3-spiro[acridine-9,9'-fluorene]-10-ylthioxanthen-9-one
CID 121337058
10-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-diphenylacridine
CID 157182655
21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9',9'-dimethylspiro[10-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,10'-anthracene]
CID 177278278
9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine
CID 159404376
14-(3',7'-ditert-butyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9',9'-dimethylspiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,10'-anthracene]
CID 177278280
10-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]phenoxazine
CID 146213013
14-[5-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459758
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
14-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177277973
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 148941843
10,10-diphenyl-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-14-one
CID 164838771

Frequently Asked Questions

What is the IUPAC name of 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one?
The IUPAC name of 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one (CID 159353540) is 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one.
What is the SMILES notation for 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one?
The canonical SMILES for 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one is CC1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1C3(C)C.C[Si]1(C)c2ccccc2N(c2ccc3c(=O)c4ccccc4sc3c2)c2cc3c(cc21)N(c1ccc2c(=O)c4ccccc4sc2c1)c1ccccc1[Si]3(C)C.O=c1c2ccccc2sc2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3N5c3ccc4c(=O)c5ccccc5sc4c3)ccc12.
What is the InChIKey of 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one?
The InChIKey is LHQAQYUCHRDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2S2.C50H36N2O2S2.C48H36N2O2S2Si2/c73-67-51-29-13-19-35-63(51)75-65-41-49(37-39-53(65)67)71-59-33-17-15-31-55(59)69(45-21-5-1-6-22-45,46-23-7-2-8-24-46)57-43-62-58(44-61(57)71)70(47-25-9-3-10-26-47,48-27-11-4-12-28-48)56-32-16-18-34-60(56)72(62)50-38-40-54-66(42-50)76-64-36-20-14-30-52(64)68(54)74;1-49(2)35-15-7-9-17-39(35)51(29-21-23-33-45(25-29)55-43-19-11-5-13-31(43)47(33)53)41-28-38-42(27-37(41)49)52(40-18-10-8-16-36(40)50(38,3)4)30-22-24-34-46(26-30)56-44-20-12-6-14-32(44)48(34)54;1-55(2)43-19-11-7-15-35(43)49(29-21-23-33-41(25-29)53-39-17-9-5-13-31(39)47(33)51)37-28-46-38(27-45(37)55)50(36-16-8-12-20-44(36)56(46,3)4)30-22-24-34-42(26-30)54-40-18-10-6-14-32(40)48(34)52/h1-44H;2*5-28H,1-4H3.
What are the key properties of 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one?
3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one has a molecular weight of 2563.39 g/mol, XLogP of 41.19, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one is sourced from PubChem (CID 159353540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).