6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one

C137H104N8O3Si — CID 158449680

IUPAC6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(=O)n(-c3ccccc3)cc(C)c2c1.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc12.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc12
InChIInChI=1S/C52H38N4O.C45H38N2OSi.C40H28N2O/c1-37-36-53(38-17-7-2-8-18-38)52(57)46-30-27-45(33-47(37)46)56-50-31-28-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)34-48(50)49-35-44(29-32-51(49)56)55(41-23-13-5-14-24-41)42-25-15-6-16-26-42;1-29-19-23-42-40(25-29)45(38-17-11-9-15-34(38)35-16-10-12-18-39(35)45)41-27-33(49(3,4)5)21-24-43(41)47(42)32-20-22-36-37(26-32)30(2)28-46(44(36)48)31-13-7-6-8-14-31;1-27-26-41(32-15-9-4-10-16-32)40(43)34-20-19-33(25-35(27)34)42-38-21-17-30(28-11-5-2-6-12-28)23-36(38)37-24-31(18-22-39(37)42)29-13-7-3-8-14-29/h2-36H,1H3;6-28H,1-5H3;2-26H,1H3
InChIKeyHDVCGZHVBIQEAM-UHFFFAOYSA-N
MW1938.48 g/mol
LogP33.37
Rot. Bonds15

About 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one

6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one (PubChem CID 158449680) has the molecular formula C137H104N8O3Si and a molecular weight of 1938.48 g/mol. Its IUPAC name is 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one
PubChem CID158449680
Molecular FormulaC137H104N8O3Si
Molecular Weight1938.48 g/mol
Exact Mass1936.80
IUPAC Name6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(=O)n(-c3ccccc3)cc(C)c2c1.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc12.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc12
InChIInChI=1S/C52H38N4O.C45H38N2OSi.C40H28N2O/c1-37-36-53(38-17-7-2-8-18-38)52(57)46-30-27-45(33-47(37)46)56-50-31-28-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)34-48(50)49-35-44(29-32-51(49)56)55(41-23-13-5-14-24-41)42-25-15-6-16-26-42;1-29-19-23-42-40(25-29)45(38-17-11-9-15-34(38)35-16-10-12-18-39(35)45)41-27-33(49(3,4)5)21-24-43(41)47(42)32-20-22-36-37(26-32)30(2)28-46(44(36)48)31-13-7-6-8-14-31;1-27-26-41(32-15-9-4-10-16-32)40(43)34-20-19-33(25-35(27)34)42-38-21-17-30(28-11-5-2-6-12-28)23-36(38)37-24-31(18-22-39(37)42)29-13-7-3-8-14-29/h2-36H,1H3;6-28H,1-5H3;2-26H,1H3
InChIKeyHDVCGZHVBIQEAM-UHFFFAOYSA-N
XLogP33.37
TPSA85.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.48
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one with MolForge

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Related Compounds

6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-3-methyl-1-phenylquinolin-4-one;3-methyl-1-phenyl-6-(N-phenylanilino)quinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-thioxanthene]-10-ylquinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-xanthene]-10-ylquinolin-4-one
CID 161206904
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;4-N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-6-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N,9-diphenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158758874
3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one
CID 142288749
9,9-diphenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-trimethylsilylphenyl)phenyl]aniline
CID 161399482
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
7-methyl-N-(7-methyl-9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-[6-phenyl-9-[4-(N-(3-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 177287799
CID 144565190
CID 144565190
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261

Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one?
The IUPAC name of 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one (CID 158449680) is 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one.
What is the SMILES notation for 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one?
The canonical SMILES for 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([Si](C)(C)C)ccc1N2c1ccc2c(=O)n(-c3ccccc3)cc(C)c2c1.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc12.Cc1cn(-c2ccccc2)c(=O)c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc12.
What is the InChIKey of 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one?
The InChIKey is HDVCGZHVBIQEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O.C45H38N2OSi.C40H28N2O/c1-37-36-53(38-17-7-2-8-18-38)52(57)46-30-27-45(33-47(37)46)56-50-31-28-43(54(39-19-9-3-10-20-39)40-21-11-4-12-22-40)34-48(50)49-35-44(29-32-51(49)56)55(41-23-13-5-14-24-41)42-25-15-6-16-26-42;1-29-19-23-42-40(25-29)45(38-17-11-9-15-34(38)35-16-10-12-18-39(35)45)41-27-33(49(3,4)5)21-24-43(41)47(42)32-20-22-36-37(26-32)30(2)28-46(44(36)48)31-13-7-6-8-14-31;1-27-26-41(32-15-9-4-10-16-32)40(43)34-20-19-33(25-35(27)34)42-38-21-17-30(28-11-5-2-6-12-28)23-36(38)37-24-31(18-22-39(37)42)29-13-7-3-8-14-29/h2-36H,1H3;6-28H,1-5H3;2-26H,1H3.
What are the key properties of 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one?
6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one has a molecular weight of 1938.48 g/mol, XLogP of 33.37, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one is sourced from PubChem (CID 158449680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).