5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C235H177N11Si4 — CID 159147874

IUPAC5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccccc5[Si](c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc54)c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccc(C)cc5C(c5ccccc5)(c5ccccc5)c5cc(C)ccc54)c3)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)c(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc1
InChIInChI=1S/C60H43N3Si.2C59H48N2Si.C57H38N4Si/c1-6-24-44(25-7-1)45-42-58(62-52-36-18-16-34-50(52)60(46-26-8-2-9-27-46,47-28-10-3-11-29-47)51-35-17-19-37-53(51)62)61-59(43-45)63-54-38-20-22-40-56(54)64(48-30-12-4-13-31-48,49-32-14-5-15-33-49)57-41-23-21-39-55(57)63;1-41-24-32-45(33-25-41)59(46-34-26-42(2)27-35-46)51-16-5-7-18-53(51)60(54-19-8-6-17-52(54)59)47-14-13-15-48(40-47)61-55-20-9-11-22-57(55)62(49-36-28-43(3)29-37-49,50-38-30-44(4)31-39-50)58-23-12-10-21-56(58)61;1-41-26-32-49(33-27-41)62(50-34-28-42(2)29-35-50)57-24-13-11-22-55(57)61(56-23-12-14-25-58(56)62)48-21-15-20-47(40-48)60-53-36-30-43(3)38-51(53)59(45-16-7-5-8-17-45,46-18-9-6-10-19-46)52-39-44(4)31-37-54(52)60;1-59-48-38-41(40-58)53(61-51-34-18-20-36-55(51)62(44-26-10-4-11-27-44,45-28-12-5-13-29-45)56-37-21-19-35-52(56)61)39-54(48)60-49-32-16-14-30-46(49)57(42-22-6-2-7-23-42,43-24-8-3-9-25-43)47-31-15-17-33-50(47)60/h1-43H;2*5-40H,1-4H3;2-39H
InChIKeyKIXKMQIFHRAVQH-UHFFFAOYSA-N
MW3267.42 g/mol
LogP48.00
Rot. Bonds25

About 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 159147874) has the molecular formula C235H177N11Si4 and a molecular weight of 3267.42 g/mol. Its IUPAC name is 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID159147874
Molecular FormulaC235H177N11Si4
Molecular Weight3267.42 g/mol
Exact Mass3264.33
IUPAC Name5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccccc5[Si](c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc54)c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccc(C)cc5C(c5ccccc5)(c5ccccc5)c5cc(C)ccc54)c3)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)c(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc1
InChIInChI=1S/C60H43N3Si.2C59H48N2Si.C57H38N4Si/c1-6-24-44(25-7-1)45-42-58(62-52-36-18-16-34-50(52)60(46-26-8-2-9-27-46,47-28-10-3-11-29-47)51-35-17-19-37-53(51)62)61-59(43-45)63-54-38-20-22-40-56(54)64(48-30-12-4-13-31-48,49-32-14-5-15-33-49)57-41-23-21-39-55(57)63;1-41-24-32-45(33-25-41)59(46-34-26-42(2)27-35-46)51-16-5-7-18-53(51)60(54-19-8-6-17-52(54)59)47-14-13-15-48(40-47)61-55-20-9-11-22-57(55)62(49-36-28-43(3)29-37-49,50-38-30-44(4)31-39-50)58-23-12-10-21-56(58)61;1-41-26-32-49(33-27-41)62(50-34-28-42(2)29-35-50)57-24-13-11-22-55(57)61(56-23-12-14-25-58(56)62)48-21-15-20-47(40-48)60-53-36-30-43(3)38-51(53)59(45-16-7-5-8-17-45,46-18-9-6-10-19-46)52-39-44(4)31-37-54(52)60;1-59-48-38-41(40-58)53(61-51-34-18-20-36-55(51)62(44-26-10-4-11-27-44,45-28-12-5-13-29-45)56-37-21-19-35-52(56)61)39-54(48)60-49-32-16-14-30-46(49)57(42-22-6-2-7-23-42,43-24-8-3-9-25-43)47-31-15-17-33-50(47)60/h1-43H;2*5-40H,1-4H3;2-39H
InChIKeyKIXKMQIFHRAVQH-UHFFFAOYSA-N
XLogP48.00
TPSA66.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003267.42
LogP ≤ 548.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

5-[3-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]phenyl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856458
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-isocyanophenyl]benzonitrile
CID 160565485
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile
CID 149278610
2-(3',6'-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 147345322
6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
CID 153487895
6-[3-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 153487840
10-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 118231939
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971

Frequently Asked Questions

What is the IUPAC name of 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 159147874) is 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccccc5[Si](c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc54)c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3cccc(N4c5ccc(C)cc5C(c5ccccc5)(c5ccccc5)c5cc(C)ccc54)c3)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)c(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc1.
What is the InChIKey of 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is KIXKMQIFHRAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3Si.2C59H48N2Si.C57H38N4Si/c1-6-24-44(25-7-1)45-42-58(62-52-36-18-16-34-50(52)60(46-26-8-2-9-27-46,47-28-10-3-11-29-47)51-35-17-19-37-53(51)62)61-59(43-45)63-54-38-20-22-40-56(54)64(48-30-12-4-13-31-48,49-32-14-5-15-33-49)57-41-23-21-39-55(57)63;1-41-24-32-45(33-25-41)59(46-34-26-42(2)27-35-46)51-16-5-7-18-53(51)60(54-19-8-6-17-52(54)59)47-14-13-15-48(40-47)61-55-20-9-11-22-57(55)62(49-36-28-43(3)29-37-49,50-38-30-44(4)31-39-50)58-23-12-10-21-56(58)61;1-41-26-32-49(33-27-41)62(50-34-28-42(2)29-35-50)57-24-13-11-22-55(57)61(56-23-12-14-25-58(56)62)48-21-15-20-47(40-48)60-53-36-30-43(3)38-51(53)59(45-16-7-5-8-17-45,46-18-9-6-10-19-46)52-39-44(4)31-37-54(52)60;1-59-48-38-41(40-58)53(61-51-34-18-20-36-55(51)62(44-26-10-4-11-27-44,45-28-12-5-13-29-45)56-37-21-19-35-52(56)61)39-54(48)60-49-32-16-14-30-46(49)57(42-22-6-2-7-23-42,43-24-8-3-9-25-43)47-31-15-17-33-50(47)60/h1-43H;2*5-40H,1-4H3;2-39H.
What are the key properties of 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 3267.42 g/mol, XLogP of 48.00, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[9,9-bis(4-methylphenyl)acridin-10-yl]phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;5-[3-(2,7-dimethyl-9,9-diphenylacridin-10-yl)phenyl]-10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasiline;4-(9,9-diphenylacridin-10-yl)-2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-5-isocyanobenzonitrile;5-[6-(9,9-diphenylacridin-10-yl)-4-phenyl-2-pyridinyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 159147874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).