3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile

C268H172N22Si2 — CID 158206044

IUPAC3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Cc4ccccc43)c2)cc(N2c3ccccc3Cc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Nc4ccccc43)c2)cc(N2c3ccccc3Nc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C64H38N4.C64H42N4.C62H42N4Si2.C40H26N4.C38H24N6/c65-39-41-33-43(37-45(35-41)67-59-29-13-9-25-55(59)63(56-26-10-14-30-60(56)67)51-21-5-1-17-47(51)48-18-2-6-22-52(48)63)44-34-42(40-66)36-46(38-44)68-61-31-15-11-27-57(61)64(58-28-12-16-32-62(58)68)53-23-7-3-19-49(53)50-20-4-8-24-54(50)64;65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68;63-43-45-37-47(41-49(39-45)65-55-29-13-17-33-59(55)67(51-21-5-1-6-22-51,52-23-7-2-8-24-52)60-34-18-14-30-56(60)65)48-38-46(44-64)40-50(42-48)66-57-31-15-19-35-61(57)68(53-25-9-3-10-26-53,54-27-11-4-12-28-54)62-36-20-16-32-58(62)66;41-25-27-17-33(23-35(19-27)43-37-13-5-1-9-29(37)21-30-10-2-6-14-38(30)43)34-18-28(26-42)20-36(24-34)44-39-15-7-3-11-31(39)22-32-12-4-8-16-40(32)44;39-23-25-17-27(21-29(19-25)43-35-13-5-1-9-31(35)41-32-10-2-6-14-36(32)43)28-18-26(24-40)20-30(22-28)44-37-15-7-3-11-33(37)42-34-12-4-8-16-38(34)44/h1-38H;2*1-42H;1-20,23-24H,21-22H2;1-22,41-42H
InChIKeyGBMVHOSWDULYGH-UHFFFAOYSA-N
MW3756.65 g/mol
LogP60.23
Rot. Bonds23

About 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile

3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile (PubChem CID 158206044) has the molecular formula C268H172N22Si2 and a molecular weight of 3756.65 g/mol. Its IUPAC name is 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile.

Molecular Properties

Compound Name3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
PubChem CID158206044
Molecular FormulaC268H172N22Si2
Molecular Weight3756.65 g/mol
Exact Mass3753.37
IUPAC Name3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Cc4ccccc43)c2)cc(N2c3ccccc3Cc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Nc4ccccc43)c2)cc(N2c3ccccc3Nc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C64H38N4.C64H42N4.C62H42N4Si2.C40H26N4.C38H24N6/c65-39-41-33-43(37-45(35-41)67-59-29-13-9-25-55(59)63(56-26-10-14-30-60(56)67)51-21-5-1-17-47(51)48-18-2-6-22-52(48)63)44-34-42(40-66)36-46(38-44)68-61-31-15-11-27-57(61)64(58-28-12-16-32-62(58)68)53-23-7-3-19-49(53)50-20-4-8-24-54(50)64;65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68;63-43-45-37-47(41-49(39-45)65-55-29-13-17-33-59(55)67(51-21-5-1-6-22-51,52-23-7-2-8-24-52)60-34-18-14-30-56(60)65)48-38-46(44-64)40-50(42-48)66-57-31-15-19-35-61(57)68(53-25-9-3-10-26-53,54-27-11-4-12-28-54)62-36-20-16-32-58(62)66;41-25-27-17-33(23-35(19-27)43-37-13-5-1-9-29(37)21-30-10-2-6-14-38(30)43)34-18-28(26-42)20-36(24-34)44-39-15-7-3-11-31(39)22-32-12-4-8-16-40(32)44;39-23-25-17-27(21-29(19-25)43-35-13-5-1-9-31(35)41-32-10-2-6-14-36(32)43)28-18-26(24-40)20-30(22-28)44-37-15-7-3-11-33(37)42-34-12-4-8-16-38(34)44/h1-38H;2*1-42H;1-20,23-24H,21-22H2;1-22,41-42H
InChIKeyGBMVHOSWDULYGH-UHFFFAOYSA-N
XLogP60.23
TPSA294.36 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms292
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003756.65
LogP ≤ 560.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile?
The IUPAC name of 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile (CID 158206044) is 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile.
What is the SMILES notation for 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile?
The canonical SMILES for 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile is N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Cc4ccccc43)c2)cc(N2c3ccccc3Cc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Nc4ccccc43)c2)cc(N2c3ccccc3Nc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile?
The InChIKey is GBMVHOSWDULYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4.C64H42N4.C62H42N4Si2.C40H26N4.C38H24N6/c65-39-41-33-43(37-45(35-41)67-59-29-13-9-25-55(59)63(56-26-10-14-30-60(56)67)51-21-5-1-17-47(51)48-18-2-6-22-52(48)63)44-34-42(40-66)36-46(38-44)68-61-31-15-11-27-57(61)64(58-28-12-16-32-62(58)68)53-23-7-3-19-49(53)50-20-4-8-24-54(50)64;65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68;63-43-45-37-47(41-49(39-45)65-55-29-13-17-33-59(55)67(51-21-5-1-6-22-51,52-23-7-2-8-24-52)60-34-18-14-30-56(60)65)48-38-46(44-64)40-50(42-48)66-57-31-15-19-35-61(57)68(53-25-9-3-10-26-53,54-27-11-4-12-28-54)62-36-20-16-32-58(62)66;41-25-27-17-33(23-35(19-27)43-37-13-5-1-9-29(37)21-30-10-2-6-14-38(30)43)34-18-28(26-42)20-36(24-34)44-39-15-7-3-11-31(39)22-32-12-4-8-16-40(32)44;39-23-25-17-27(21-29(19-25)43-35-13-5-1-9-31(35)41-32-10-2-6-14-36(32)43)28-18-26(24-40)20-30(22-28)44-37-15-7-3-11-33(37)42-34-12-4-8-16-38(34)44/h1-38H;2*1-42H;1-20,23-24H,21-22H2;1-22,41-42H.
What are the key properties of 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile?
3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile has a molecular weight of 3756.65 g/mol, XLogP of 60.23, 23 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile is sourced from PubChem (CID 158206044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).