4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline

C211H169F3N10 — CID 161081512

About 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline

4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 161081512) has the molecular formula C211H169F3N10 and a molecular weight of 2901.74 g/mol. Its IUPAC name is 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline
• PubChem CID: 161081512
• Molecular Formula: C211H169F3N10
• Molecular Weight: 2901.74 g/mol
• Exact Mass: 2899.35
• IUPAC Name: 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(F)(F)F)cc4)cc3C3c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)cc2)c2ccc(C(C)(C)C)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)cc3C3c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)cc2)c2ccc(C(C)(C)C)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)cc3C3c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)cc2)c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C71H59F3N2.C71H56N4.C69H54N4/c1-45-20-30-50(31-21-45)75(52-34-24-47(25-35-52)69(2,3)4)51-32-22-46(23-33-51)56-41-40-55(76(53-36-26-48(27-37-53)70(5,6)7)54-38-28-49(29-39-54)71(72,73)74)42-66(56)68-62-19-13-12-18-61(62)65-43-63-59-16-10-8-14-57(59)58-15-9-11-17-60(58)64(63)44-67(65)68;1-70(2,3)48-24-34-53(35-25-48)74(55-38-28-50(73-7)29-39-55)52-32-22-47(23-33-52)57-41-40-56(75(51-30-20-46(45-72)21-31-51)54-36-26-49(27-37-54)71(4,5)6)42-67(57)69-63-19-13-12-18-62(63)66-43-64-60-16-10-8-14-58(60)59-15-9-11-17-61(59)65(64)44-68(66)69;1-68(2,3)46-23-33-51(34-24-46)72(53-37-27-48(71-7)28-38-53)50-31-21-45(22-32-50)55-40-39-54(73(49-29-19-44(43-70)20-30-49)52-35-25-47(26-36-52)69(4,5)6)41-62(55)67-60-16-11-10-15-59(60)66-61-18-12-17-58-56-13-8-9-14-57(56)63(65(58)61)42-64(66)67/h8-44,68H,1-7H3;8-44,69H,1-6H3;8-42,67H,1-6H3
• InChIKey: UFYYWGLRXJMBSE-UHFFFAOYSA-N
• XLogP: 60.04
• TPSA: 75.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2901.74
LogP ≤ 5	60.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline?

The IUPAC name of 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 161081512) is 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline.

What is the SMILES notation for 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline?

The canonical SMILES for 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(F)(F)F)cc4)cc3C3c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)cc2)c2ccc(C(C)(C)C)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)cc3C3c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)cc2)c2ccc(C(C)(C)C)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)cc3C3c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)cc2)c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline?

The InChIKey is UFYYWGLRXJMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H59F3N2.C71H56N4.C69H54N4/c1-45-20-30-50(31-21-45)75(52-34-24-47(25-35-52)69(2,3)4)51-32-22-46(23-33-51)56-41-40-55(76(53-36-26-48(27-37-53)70(5,6)7)54-38-28-49(29-39-54)71(72,73)74)42-66(56)68-62-19-13-12-18-61(62)65-43-63-59-16-10-8-14-57(59)58-15-9-11-17-60(58)64(63)44-67(65)68;1-70(2,3)48-24-34-53(35-25-48)74(55-38-28-50(73-7)29-39-55)52-32-22-47(23-33-52)57-41-40-56(75(51-30-20-46(45-72)21-31-51)54-36-26-49(27-37-54)71(4,5)6)42-67(57)69-63-19-13-12-18-62(63)66-43-64-60-16-10-8-14-58(60)59-15-9-11-17-61(59)65(64)44-68(66)69;1-68(2,3)46-23-33-51(34-24-46)72(53-37-27-48(71-7)28-38-53)50-31-21-45(22-32-50)55-40-39-54(73(49-29-19-44(43-70)20-30-49)52-35-25-47(26-36-52)69(4,5)6)41-62(55)67-60-16-11-10-15-59(60)66-61-18-12-17-58-56-13-8-9-14-57(56)63(65(58)61)42-64(66)67/h8-44,68H,1-7H3;8-44,69H,1-6H3;8-42,67H,1-6H3.

What are the key properties of 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline?

4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 2901.74 g/mol, XLogP of 60.04, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]anilino)benzonitrile;4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-isocyanophenyl)anilino)phenyl]-3-(9-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaenyl)phenyl]anilino)benzonitrile;N-(4-tert-butylphenyl)-4-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]-3-(23-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 161081512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).