2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline

C191H150Cl9N19O7Si3 — CID 161338982

About 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline

2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline (PubChem CID 161338982) has the molecular formula C191H150Cl9N19O7Si3 and a molecular weight of 3226.76 g/mol. Its IUPAC name is 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline
• PubChem CID: 161338982
• Molecular Formula: C191H150Cl9N19O7Si3
• Molecular Weight: 3226.76 g/mol
• Exact Mass: 3219.85
• IUPAC Name: 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline
• SMILES: CCCCOCCOCCOC1=C(C)CC(C)=C1OCCOCCOCCCC.Cl[Si](Cl)(Cl)c1ccc(N(c2ccc([Si](Cl)(Cl)Cl)cc2)c2ccc([Si](Cl)(Cl)Cl)cc2)cc1.N#Cc1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1C#N.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C72H54N4.C60H42N2O.C23H42O6.C18H12Cl9NSi3.C18N12/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-5-13-43(14-6-1)47-21-29-51(30-22-47)61(52-31-23-48(24-32-52)44-15-7-2-8-16-44)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)62(53-33-25-49(26-34-53)45-17-9-3-10-18-45)54-35-27-50(28-36-54)46-19-11-4-12-20-46;1-5-7-9-24-11-13-26-15-17-28-22-20(3)19-21(4)23(22)29-18-16-27-14-12-25-10-8-6-2;19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18/h1-54H;1-42H;5-19H2,1-4H3;1-12H
• InChIKey: VMKNHKQKKUWQKL-UHFFFAOYSA-N
• XLogP: 50.89
• TPSA: 311.28 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 51
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3226.76
LogP ≤ 5	50.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline?

The IUPAC name of 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline (CID 161338982) is 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline.

What is the SMILES notation for 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline?

The canonical SMILES for 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline is CCCCOCCOCCOC1=C(C)CC(C)=C1OCCOCCOCCCC.Cl[Si](Cl)(Cl)c1ccc(N(c2ccc([Si](Cl)(Cl)Cl)cc2)c2ccc([Si](Cl)(Cl)Cl)cc2)cc1.N#Cc1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1C#N.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline?

The InChIKey is VMKNHKQKKUWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4.C60H42N2O.C23H42O6.C18H12Cl9NSi3.C18N12/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-5-13-43(14-6-1)47-21-29-51(30-22-47)61(52-31-23-48(24-32-52)44-15-7-2-8-16-44)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)62(53-33-25-49(26-34-53)45-17-9-3-10-18-45)54-35-27-50(28-36-54)46-19-11-4-12-20-46;1-5-7-9-24-11-13-26-15-17-28-22-20(3)19-21(4)23(22)29-18-16-27-14-12-25-10-8-6-2;19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18/h1-54H;1-42H;5-19H2,1-4H3;1-12H;.

What are the key properties of 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline?

2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline has a molecular weight of 3226.76 g/mol, XLogP of 50.89, 51 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline is sourced from PubChem (CID 161338982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).