2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile

C221H145N19O8S3 — CID 157120335

IUPAC2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21.O=S1(=O)c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc21.O=S1(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C56H32N6.C48H32N4O2S.C42H34N2O2S.C39H25N5.C36H22N2O4S/c1-58-52-53(59-44-26-10-2-18-35(44)36-19-3-11-27-45(36)59)43(34-57)54(60-46-28-12-4-20-37(46)38-21-5-13-29-47(38)60)56(62-50-32-16-8-24-41(50)42-25-9-17-33-51(42)62)55(52)61-48-30-14-6-22-39(48)40-23-7-15-31-49(40)61;53-55(54)47-29-27-35(51-43-23-11-7-19-39(43)49(33-15-3-1-4-16-33)40-20-8-12-24-44(40)51)31-37(47)38-32-36(28-30-48(38)55)52-45-25-13-9-21-41(45)50(34-17-5-2-6-18-34)42-22-10-14-26-46(42)52;1-41(2)31-13-5-9-17-35(31)43(36-18-10-6-14-32(36)41)27-21-23-39-29(25-27)30-26-28(22-24-40(30)47(39,45)46)44-37-19-11-7-15-33(37)42(3,4)34-16-8-12-20-38(34)44;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;39-43(40)35-19-17-23(37-27-9-1-5-13-31(27)41-32-14-6-2-10-28(32)37)21-25(35)26-22-24(18-20-36(26)43)38-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)38/h2-33H;1-32H;5-26H,1-4H3;1-25H;1-22H
InChIKeyAHWWMSJELYNHFH-UHFFFAOYSA-N
MW3290.92 g/mol
LogP57.27
Rot. Bonds16

About 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile

2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile (PubChem CID 157120335) has the molecular formula C221H145N19O8S3 and a molecular weight of 3290.92 g/mol. Its IUPAC name is 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile.

Molecular Properties

Compound Name2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
PubChem CID157120335
Molecular FormulaC221H145N19O8S3
Molecular Weight3290.92 g/mol
Exact Mass3288.07
IUPAC Name2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21.O=S1(=O)c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc21.O=S1(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C56H32N6.C48H32N4O2S.C42H34N2O2S.C39H25N5.C36H22N2O4S/c1-58-52-53(59-44-26-10-2-18-35(44)36-19-3-11-27-45(36)59)43(34-57)54(60-46-28-12-4-20-37(46)38-21-5-13-29-47(38)60)56(62-50-32-16-8-24-41(50)42-25-9-17-33-51(42)62)55(52)61-48-30-14-6-22-39(48)40-23-7-15-31-49(40)61;53-55(54)47-29-27-35(51-43-23-11-7-19-39(43)49(33-15-3-1-4-16-33)40-20-8-12-24-44(40)51)31-37(47)38-32-36(28-30-48(38)55)52-45-25-13-9-21-41(45)50(34-17-5-2-6-18-34)42-22-10-14-26-46(42)52;1-41(2)31-13-5-9-17-35(31)43(36-18-10-6-14-32(36)41)27-21-23-39-29(25-27)30-26-28(22-24-40(30)47(39,45)46)44-37-19-11-7-15-33(37)42(3,4)34-16-8-12-20-38(34)44;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;39-43(40)35-19-17-23(37-27-9-1-5-13-31(27)41-32-14-6-2-10-28(32)37)21-25(35)26-22-24(18-20-36(26)43)38-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)38/h2-33H;1-32H;5-26H,1-4H3;1-25H;1-22H
InChIKeyAHWWMSJELYNHFH-UHFFFAOYSA-N
XLogP57.27
TPSA243.20 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003290.92
LogP ≤ 557.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?
The IUPAC name of 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile (CID 157120335) is 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile.
What is the SMILES notation for 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?
The canonical SMILES for 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile is CC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2S3(=O)=O)c2ccccc21.O=S1(=O)c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2-c2cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc21.O=S1(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?
The InChIKey is AHWWMSJELYNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6.C48H32N4O2S.C42H34N2O2S.C39H25N5.C36H22N2O4S/c1-58-52-53(59-44-26-10-2-18-35(44)36-19-3-11-27-45(36)59)43(34-57)54(60-46-28-12-4-20-37(46)38-21-5-13-29-47(38)60)56(62-50-32-16-8-24-41(50)42-25-9-17-33-51(42)62)55(52)61-48-30-14-6-22-39(48)40-23-7-15-31-49(40)61;53-55(54)47-29-27-35(51-43-23-11-7-19-39(43)49(33-15-3-1-4-16-33)40-20-8-12-24-44(40)51)31-37(47)38-32-36(28-30-48(38)55)52-45-25-13-9-21-41(45)50(34-17-5-2-6-18-34)42-22-10-14-26-46(42)52;1-41(2)31-13-5-9-17-35(31)43(36-18-10-6-14-32(36)41)27-21-23-39-29(25-27)30-26-28(22-24-40(30)47(39,45)46)44-37-19-11-7-15-33(37)42(3,4)34-16-8-12-20-38(34)44;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;39-43(40)35-19-17-23(37-27-9-1-5-13-31(27)41-32-14-6-2-10-28(32)37)21-25(35)26-22-24(18-20-36(26)43)38-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)38/h2-33H;1-32H;5-26H,1-4H3;1-25H;1-22H.
What are the key properties of 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile?
2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile has a molecular weight of 3290.92 g/mol, XLogP of 57.27, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(9,9-dimethylacridin-10-yl)dibenzothiophene 5,5-dioxide;2,8-bis(10-phenylphenazin-5-yl)dibenzothiophene 5,5-dioxide;2,8-di(phenoxazin-10-yl)dibenzothiophene 5,5-dioxide;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile is sourced from PubChem (CID 157120335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).