4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C228H148F4N14 — CID 158645629

About 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 158645629) has the molecular formula C228H148F4N14 and a molecular weight of 3159.78 g/mol. Its IUPAC name is 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

• Compound Name: 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• PubChem CID: 158645629
• Molecular Formula: C228H148F4N14
• Molecular Weight: 3159.78 g/mol
• Exact Mass: 3157.19
• IUPAC Name: 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• SMILES: Fc1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(c2ccccc2)C2(c3ccccc3)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(C(C)(C)C)C2(C(C)(C)C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(C)C2(C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1
• InChI: InChI=1S/C78H48F4N2.C78H56N6.C72H44N6/c79-53-29-37-57(38-30-53)83(58-39-31-54(80)32-40-58)71-47-69-75(65-25-13-11-23-63(65)71)73-61-21-9-7-15-49(61)27-45-67(73)77(69,51-17-3-1-4-18-51)78(52-19-5-2-6-20-52)68-46-28-50-16-8-10-22-62(50)74(68)76-66-26-14-12-24-64(66)72(48-70(76)78)84(59-41-33-55(81)34-42-59)60-43-35-56(82)36-44-60;1-75(2,3)77(65-43-29-51-17-9-11-19-59(51)71(65)73-63-23-15-13-21-61(63)69(45-67(73)77)83(55-35-25-49(47-79)26-36-55)57-39-31-53(81-7)32-40-57)78(76(4,5)6)66-44-30-52-18-10-12-20-60(52)72(66)74-64-24-16-14-22-62(64)70(46-68(74)78)84(56-37-27-50(48-80)28-38-56)58-41-33-54(82-8)34-42-58;1-71(61-39-25-47-13-5-7-15-55(47)67(61)69-59-19-11-9-17-57(59)65(41-63(69)71)77(51-31-21-45(43-73)22-32-51)53-35-27-49(75-3)28-36-53)72(2)62-40-26-48-14-6-8-16-56(48)68(62)70-60-20-12-10-18-58(60)66(42-64(70)72)78(52-33-23-46(44-74)24-34-52)54-37-29-50(76-4)30-38-54/h1-48H;9-46H,1-6H3;5-42H,1-2H3
• InChIKey: IAXTZZCTKDBKMG-UHFFFAOYSA-N
• XLogP: 61.89
• TPSA: 132.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3159.78
LogP ≤ 5	61.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The IUPAC name of 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 158645629) is 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

What is the SMILES notation for 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The canonical SMILES for 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is Fc1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(c2ccccc2)C2(c3ccccc3)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(C(C)(C)C)C2(C(C)(C)C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(C)C2(C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.

What is the InChIKey of 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The InChIKey is IAXTZZCTKDBKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48F4N2.C78H56N6.C72H44N6/c79-53-29-37-57(38-30-53)83(58-39-31-54(80)32-40-58)71-47-69-75(65-25-13-11-23-63(65)71)73-61-21-9-7-15-49(61)27-45-67(73)77(69,51-17-3-1-4-18-51)78(52-19-5-2-6-20-52)68-46-28-50-16-8-10-22-62(50)74(68)76-66-26-14-12-24-64(66)72(48-70(76)78)84(59-41-33-55(81)34-42-59)60-43-35-56(82)36-44-60;1-75(2,3)77(65-43-29-51-17-9-11-19-59(51)71(65)73-63-23-15-13-21-61(63)69(45-67(73)77)83(55-35-25-49(47-79)26-36-55)57-39-31-53(81-7)32-40-57)78(76(4,5)6)66-44-30-52-18-10-12-20-60(52)72(66)74-64-24-16-14-22-62(64)70(46-68(74)78)84(56-37-27-50(48-80)28-38-56)58-41-33-54(82-8)34-42-58;1-71(61-39-25-47-13-5-7-15-55(47)67(61)69-59-19-11-9-17-57(59)65(41-63(69)71)77(51-31-21-45(43-73)22-32-51)53-35-27-49(75-3)28-36-53)72(2)62-40-26-48-14-6-8-16-56(48)68(62)70-60-20-12-10-18-58(60)66(42-64(70)72)78(52-33-23-46(44-74)24-34-52)54-37-29-50(76-4)30-38-54/h1-48H;9-46H,1-6H3;5-42H,1-2H3.

What are the key properties of 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 3159.78 g/mol, XLogP of 61.89, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 158645629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).