4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine

C210H194F6N12Si2 — CID 159788427

About 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine

4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine (PubChem CID 159788427) has the molecular formula C210H194F6N12Si2 and a molecular weight of 3056.11 g/mol. Its IUPAC name is 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
• PubChem CID: 159788427
• Molecular Formula: C210H194F6N12Si2
• Molecular Weight: 3056.11 g/mol
• Exact Mass: 3053.50
• IUPAC Name: 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
• SMILES: Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)C)cc5)c5ccc(C(F)(F)F)cc5)cc(C(C)C)c5ccc2c3c54)cc1.Cc1ccc(N(c2ccccc2)c2cc(C(C)C)c3ccc4c(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)cc(C(C)C)c5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc(C(C)C)cc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/C54H53F3N2.C54H52N4Si2.C54H48N4.C48H41F3N2/c1-32(2)37-12-20-41(21-13-37)58(40-18-10-36(9)11-19-40)50-30-48(34(5)6)44-27-29-47-51(31-49(35(7)8)45-26-28-46(50)52(44)53(45)47)59(42-22-14-38(15-23-42)33(3)4)43-24-16-39(17-25-43)54(55,56)57;1-56-40-17-21-42(22-18-40)58(44-25-29-46(30-26-44)60(5,6)7)52-35-50(38-11-9-8-10-12-38)47-32-33-48-51(34-16-39-15-31-49(52)54(47)53(39)48)57(41-19-13-37(36-55)14-20-41)43-23-27-45(28-24-43)59(2,3)4;1-35(2)38-13-23-44(24-14-38)57(43-21-11-37(34-55)12-22-43)51-32-18-41-17-29-49-52(33-50(40-9-7-6-8-10-40)47-30-31-48(51)53(41)54(47)49)58(46-27-19-42(56-5)20-28-46)45-25-15-39(16-26-45)36(3)4;1-30(2)42-28-44(52(34-12-8-6-9-13-34)36-20-16-32(5)17-21-36)40-26-24-39-43(31(3)4)29-45(41-27-25-38(42)46(40)47(39)41)53(35-14-10-7-11-15-35)37-22-18-33(19-23-37)48(49,50)51/h10-35H,1-9H3;13-35,38H,8-12H2,2-7H3;11-33,35-36,40H,6-10H2,1-4H3;6-31H,1-5H3
• InChIKey: NIGDTRIMWGOWTC-UHFFFAOYSA-N
• XLogP: 63.77
• TPSA: 82.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3056.11
LogP ≤ 5	63.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine?

The IUPAC name of 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine (CID 159788427) is 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine.

What is the SMILES notation for 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine?

The canonical SMILES for 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C(C)C)cc5)c5ccc(C(F)(F)F)cc5)cc(C(C)C)c5ccc2c3c54)cc1.Cc1ccc(N(c2ccccc2)c2cc(C(C)C)c3ccc4c(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)cc(C(C)C)c5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc(C(C)C)cc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1.

What is the InChIKey of 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine?

The InChIKey is NIGDTRIMWGOWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H53F3N2.C54H52N4Si2.C54H48N4.C48H41F3N2/c1-32(2)37-12-20-41(21-13-37)58(40-18-10-36(9)11-19-40)50-30-48(34(5)6)44-27-29-47-51(31-49(35(7)8)45-26-28-46(50)52(44)53(45)47)59(42-22-14-38(15-23-42)33(3)4)43-24-16-39(17-25-43)54(55,56)57;1-56-40-17-21-42(22-18-40)58(44-25-29-46(30-26-44)60(5,6)7)52-35-50(38-11-9-8-10-12-38)47-32-33-48-51(34-16-39-15-31-49(52)54(47)53(39)48)57(41-19-13-37(36-55)14-20-41)43-23-27-45(28-24-43)59(2,3)4;1-35(2)38-13-23-44(24-14-38)57(43-21-11-37(34-55)12-22-43)51-32-18-41-17-29-49-52(33-50(40-9-7-6-8-10-40)47-30-31-48(51)53(41)54(47)49)58(46-27-19-42(56-5)20-28-46)45-25-15-39(16-26-45)36(3)4;1-30(2)42-28-44(52(34-12-8-6-9-13-34)36-20-16-32(5)17-21-36)40-26-24-39-43(31(3)4)29-45(41-27-25-38(42)46(40)47(39)41)53(35-14-10-7-11-15-35)37-22-18-33(19-23-37)48(49,50)51/h10-35H,1-9H3;13-35,38H,8-12H2,2-7H3;11-33,35-36,40H,6-10H2,1-4H3;6-31H,1-5H3.

What are the key properties of 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine?

4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine has a molecular weight of 3056.11 g/mol, XLogP of 63.77, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[8-cyclohexyl-6-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)pyren-1-yl]-4-propan-2-ylanilino)benzonitrile;4-(N-[8-cyclohexyl-6-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile;6-N-(4-methylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine;6-N-(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 159788427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).