8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile

C202H120F2N16 — CID 158024447

About 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile

8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile (PubChem CID 158024447) has the molecular formula C202H120F2N16 and a molecular weight of 2809.29 g/mol. Its IUPAC name is 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile.

Molecular Properties

• Compound Name: 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile
• PubChem CID: 158024447
• Molecular Formula: C202H120F2N16
• Molecular Weight: 2809.29 g/mol
• Exact Mass: 2806.98
• IUPAC Name: 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile
• SMILES: Fc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4F)cc3n6c21.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc(C#N)c5)cc4n7c32)c1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4C#N)cc3n6c21
• InChI: InChI=1S/2C68H40N6.C66H40F2N4/c1-70-46-23-15-29-50(39-46)72(48-26-12-5-13-27-48)52-35-37-54-56-31-17-33-58-64-61(44-19-6-2-7-20-44)67-63(62(45-21-8-3-9-22-45)68(64)74(66(56)58)60(54)41-52)57-32-16-30-55-53-36-34-51(40-59(53)73(67)65(55)57)71(47-24-10-4-11-25-47)49-28-14-18-43(38-49)42-69;1-70-56-33-15-17-35-58(56)72(47-27-12-5-13-28-47)49-37-39-51-53-30-19-32-55-64-61(43-20-6-2-7-21-43)67-63(62(44-22-8-3-9-23-44)68(64)74(66(53)55)60(51)41-49)54-31-18-29-52-50-38-36-48(40-59(50)73(67)65(52)54)71(46-25-10-4-11-26-46)57-34-16-14-24-45(57)42-69;67-53-31-13-15-33-55(53)69(43-23-9-3-10-24-43)45-35-37-47-50-28-18-30-52-62-60(42-21-7-2-8-22-42)66-61(59(41-19-5-1-6-20-41)65(62)71(64(50)52)57(47)39-45)51-29-17-27-49-48-38-36-46(40-58(48)72(66)63(49)51)70(44-25-11-4-12-26-44)56-34-16-14-32-54(56)68/h2*2-41H;1-40H
• InChIKey: FGLATEIWQNCJAV-UHFFFAOYSA-N
• XLogP: 55.90
• TPSA: 102.20 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.29
LogP ≤ 5	55.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile?

The IUPAC name of 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile (CID 158024447) is 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile.

What is the SMILES notation for 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile?

The canonical SMILES for 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile is Fc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4F)cc3n6c21.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc(C#N)c5)cc4n7c32)c1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4C#N)cc3n6c21.

What is the InChIKey of 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile?

The InChIKey is FGLATEIWQNCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H40N6.C66H40F2N4/c1-70-46-23-15-29-50(39-46)72(48-26-12-5-13-27-48)52-35-37-54-56-31-17-33-58-64-61(44-19-6-2-7-20-44)67-63(62(45-21-8-3-9-22-45)68(64)74(66(56)58)60(54)41-52)57-32-16-30-55-53-36-34-51(40-59(53)73(67)65(55)57)71(47-24-10-4-11-25-47)49-28-14-18-43(38-49)42-69;1-70-56-33-15-17-35-58(56)72(47-27-12-5-13-28-47)49-37-39-51-53-30-19-32-55-64-61(43-20-6-2-7-21-43)67-63(62(44-22-8-3-9-23-44)68(64)74(66(53)55)60(51)41-49)54-31-18-29-52-50-38-36-48(40-59(50)73(67)65(52)54)71(46-25-10-4-11-26-46)57-34-16-14-24-45(57)42-69;67-53-31-13-15-33-55(53)69(43-23-9-3-10-24-43)45-35-37-47-50-28-18-30-52-62-60(42-21-7-2-8-22-42)66-61(59(41-19-5-1-6-20-41)65(62)71(64(50)52)57(47)39-45)51-29-17-27-49-48-38-36-46(40-58(48)72(66)63(49)51)70(44-25-11-4-12-26-44)56-34-16-14-32-54(56)68/h2*2-41H;1-40H.

What are the key properties of 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile?

8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile has a molecular weight of 2809.29 g/mol, XLogP of 55.90, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;2-(N-[23-(N-(2-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile;3-(N-[23-(N-(3-isocyanophenyl)anilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]anilino)benzonitrile is sourced from PubChem (CID 158024447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).