3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile

C184H154N14Si6 — CID 157480791

IUPAC3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile
SMILESC[Si](C)(C)c1cccc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1cccc(N(c2cccc([Si](C)(C)C)c2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C48H42N4Si2.C47H43N3Si2.C45H34N4Si.C44H35N3Si/c1-53(2,3)41-17-9-15-39(29-41)51(37-13-7-11-33(27-37)31-49)45-25-21-35-20-24-44-46(26-22-36-19-23-43(45)47(35)48(36)44)52(38-14-8-12-34(28-38)32-50)40-16-10-18-42(30-40)54(4,5)6;1-51(2,3)40-19-11-17-38(30-40)49(36-14-8-7-9-15-36)44-27-23-34-22-26-43-45(28-24-35-21-25-42(44)46(34)47(35)43)50(37-16-10-13-33(29-37)32-48)39-18-12-20-41(31-39)52(4,5)6;1-47-34-12-9-16-37(28-34)49(38-17-10-18-39(29-38)50(2,3)4)43-26-22-33-19-23-40-42(25-21-32-20-24-41(43)45(33)44(32)40)48(35-13-6-5-7-14-35)36-15-8-11-31(27-36)30-46;1-48(2,3)38-19-11-18-37(29-38)47(35-15-8-5-9-16-35)42-27-23-33-20-24-39-41(26-22-32-21-25-40(42)44(33)43(32)39)46(34-13-6-4-7-14-34)36-17-10-12-31(28-36)30-45/h7-30H,1-6H3;7-31H,1-6H3;5-29H,2-4H3;4-29H,1-3H3
InChIKeyBWDCACYTLHPUSV-UHFFFAOYSA-N
MW2729.87 g/mol
LogP49.27
Rot. Bonds30

About 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile

3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile (PubChem CID 157480791) has the molecular formula C184H154N14Si6 and a molecular weight of 2729.87 g/mol. Its IUPAC name is 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile.

Molecular Properties

Compound Name3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile
PubChem CID157480791
Molecular FormulaC184H154N14Si6
Molecular Weight2729.87 g/mol
Exact Mass2727.11
IUPAC Name3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile
SMILESC[Si](C)(C)c1cccc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1cccc(N(c2cccc([Si](C)(C)C)c2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C48H42N4Si2.C47H43N3Si2.C45H34N4Si.C44H35N3Si/c1-53(2,3)41-17-9-15-39(29-41)51(37-13-7-11-33(27-37)31-49)45-25-21-35-20-24-44-46(26-22-36-19-23-43(45)47(35)48(36)44)52(38-14-8-12-34(28-38)32-50)40-16-10-18-42(30-40)54(4,5)6;1-51(2,3)40-19-11-17-38(30-40)49(36-14-8-7-9-15-36)44-27-23-34-22-26-43-45(28-24-35-21-25-42(44)46(34)47(35)43)50(37-16-10-13-33(29-37)32-48)39-18-12-20-41(31-39)52(4,5)6;1-47-34-12-9-16-37(28-34)49(38-17-10-18-39(29-38)50(2,3)4)43-26-22-33-19-23-40-42(25-21-32-20-24-41(43)45(33)44(32)40)48(35-13-6-5-7-14-35)36-15-8-11-31(27-36)30-46;1-48(2,3)38-19-11-18-37(29-38)47(35-15-8-5-9-16-35)42-27-23-33-20-24-39-41(26-22-32-21-25-40(42)44(33)43(32)39)46(34-13-6-4-7-14-34)36-17-10-12-31(28-36)30-45/h7-30H,1-6H3;7-31H,1-6H3;5-29H,2-4H3;4-29H,1-3H3
InChIKeyBWDCACYTLHPUSV-UHFFFAOYSA-N
XLogP49.27
TPSA149.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002729.87
LogP ≤ 549.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-[6-(N-phenylanilino)pyren-1-yl]-2-trimethylsilylanilino)benzonitrile
CID 89006196
2-(N-[6-(N-(2-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)pyren-1-yl]-4-methylanilino)benzonitrile
CID 160642788
1-N,6-N-bis[3,5-bis(trimethylsilyl)phenyl]-1-N,6-N-bis(4-isocyanophenyl)pyrene-1,6-diamine
CID 59592478
1-N,6-N-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-6-methylphenyl)pyrene-1,6-diamine;3-[N-[6-(N-[3,5-bis(3,5-dimethylphenyl)phenyl]-3-isocyanoanilino)pyren-1-yl]-3,5-bis(3,5-dimethylphenyl)anilino]benzonitrile
CID 159100197
N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine
CID 59592475
4-[N-[6-(N-[2,4-difluoro-6-(3-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-6-(3-trimethylsilylphenyl)anilino]benzonitrile
CID 58099495
3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile
CID 140803084
1-N-(4-isocyanophenyl)-6-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 59592481
1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 160928353
2-(N-[6-(N-(2-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile;4-(N-[6-(N-(4-isocyanophenyl)anilino)-3,8-dimethylpyren-1-yl]anilino)benzonitrile
CID 160861799
4-[3-(N-[6-(N-[3-(4-isocyanophenyl)-5-phenylphenyl]-3,5-dimethylanilino)pyren-1-yl]-3,5-dimethylanilino)-5-phenylphenyl]benzonitrile
CID 58322407
5-(N-[6-(N-(3-cyano-4-fluorophenyl)anilino)pyren-1-yl]anilino)-2-fluorobenzonitrile
CID 72534390

Frequently Asked Questions

What is the IUPAC name of 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile?
The IUPAC name of 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile (CID 157480791) is 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile.
What is the SMILES notation for 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile?
The canonical SMILES for 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile is C[Si](C)(C)c1cccc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1cccc(N(c2cccc([Si](C)(C)C)c2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1.
What is the InChIKey of 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile?
The InChIKey is BWDCACYTLHPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N4Si2.C47H43N3Si2.C45H34N4Si.C44H35N3Si/c1-53(2,3)41-17-9-15-39(29-41)51(37-13-7-11-33(27-37)31-49)45-25-21-35-20-24-44-46(26-22-36-19-23-43(45)47(35)48(36)44)52(38-14-8-12-34(28-38)32-50)40-16-10-18-42(30-40)54(4,5)6;1-51(2,3)40-19-11-17-38(30-40)49(36-14-8-7-9-15-36)44-27-23-34-22-26-43-45(28-24-35-21-25-42(44)46(34)47(35)43)50(37-16-10-13-33(29-37)32-48)39-18-12-20-41(31-39)52(4,5)6;1-47-34-12-9-16-37(28-34)49(38-17-10-18-39(29-38)50(2,3)4)43-26-22-33-19-23-40-42(25-21-32-20-24-41(43)45(33)44(32)40)48(35-13-6-5-7-14-35)36-15-8-11-31(27-36)30-46;1-48(2,3)38-19-11-18-37(29-38)47(35-15-8-5-9-16-35)42-27-23-33-20-24-39-41(26-22-32-21-25-40(42)44(33)43(32)39)46(34-13-6-4-7-14-34)36-17-10-12-31(28-36)30-45/h7-30H,1-6H3;7-31H,1-6H3;5-29H,2-4H3;4-29H,1-3H3.
What are the key properties of 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile?
3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile has a molecular weight of 2729.87 g/mol, XLogP of 49.27, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile is sourced from PubChem (CID 157480791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).