12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene

C202H180N6 — CID 159857765

About 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene

12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene (PubChem CID 159857765) has the molecular formula C202H180N6 and a molecular weight of 2691.70 g/mol. Its IUPAC name is 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene.

Molecular Properties

• Compound Name: 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
• PubChem CID: 159857765
• Molecular Formula: C202H180N6
• Molecular Weight: 2691.70 g/mol
• Exact Mass: 2689.43
• IUPAC Name: 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
• SMILES: C.C.C.CCCCc1ccc(N2c3ccc(C)cc3C(c3ccccc3)(c3ccccc3)c3cc4c(cc32)C(C)(C)c2cc3c(cc2-4)C(c2ccccc2)(c2ccccc2)c2cc(C)ccc2N3c2ccc(CCCC)cc2)cc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2C)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2C.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccc1)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccccc1
• InChI: InChI=1S/C75H68N2.C67H52N2.C57H48N2.3CH4/c1-7-9-23-53-35-39-59(40-36-53)76-69-43-33-51(3)45-65(69)74(55-25-15-11-16-26-55,56-27-17-12-18-28-56)67-47-61-62-48-68-72(50-64(62)73(5,6)63(61)49-71(67)76)77(60-41-37-54(38-42-60)24-10-8-2)70-44-34-52(4)46-66(70)75(68,57-29-19-13-20-30-57)58-31-21-14-22-32-58;1-45-35-37-61-57(39-45)66(47-23-11-5-12-24-47,48-25-13-6-14-26-48)59-41-53-54-42-60-64(44-56(54)65(3,4)55(53)43-63(59)68(61)51-31-19-9-20-32-51)69(52-33-21-10-22-34-52)62-38-36-46(2)40-58(62)67(60,49-27-15-7-16-28-49)50-29-17-8-18-30-50;1-37-27-29-51-47(31-37)56(39-19-11-7-12-20-39,40-21-13-8-14-22-40)49-33-43-44-34-50-54(36-46(44)55(3,4)45(43)35-53(49)58(51)5)59(6)52-30-28-38(2)32-48(52)57(50,41-23-15-9-16-24-41)42-25-17-10-18-26-42;;;/h11-22,25-50H,7-10,23-24H2,1-6H3;5-44H,1-4H3;7-36H,1-6H3;3*1H4
• InChIKey: NQTAPLGFTYCBPW-UHFFFAOYSA-N
• XLogP: 52.01
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2691.70
LogP ≤ 5	52.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The IUPAC name of 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene (CID 159857765) is 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene.

What is the SMILES notation for 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The canonical SMILES for 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene is C.C.C.CCCCc1ccc(N2c3ccc(C)cc3C(c3ccccc3)(c3ccccc3)c3cc4c(cc32)C(C)(C)c2cc3c(cc2-4)C(c2ccccc2)(c2ccccc2)c2cc(C)ccc2N3c2ccc(CCCC)cc2)cc1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2C)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2C.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccc1)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccccc1.

What is the InChIKey of 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The InChIKey is NQTAPLGFTYCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H68N2.C67H52N2.C57H48N2.3CH4/c1-7-9-23-53-35-39-59(40-36-53)76-69-43-33-51(3)45-65(69)74(55-25-15-11-16-26-55,56-27-17-12-18-28-56)67-47-61-62-48-68-72(50-64(62)73(5,6)63(61)49-71(67)76)77(60-41-37-54(38-42-60)24-10-8-2)70-44-34-52(4)46-66(70)75(68,57-29-19-13-20-30-57)58-31-21-14-22-32-58;1-45-35-37-61-57(39-45)66(47-23-11-5-12-24-47,48-25-13-6-14-26-48)59-41-53-54-42-60-64(44-56(54)65(3,4)55(53)43-63(59)68(61)51-31-19-9-20-32-51)69(52-33-21-10-22-34-52)62-38-36-46(2)40-58(62)67(60,49-27-15-7-16-28-49)50-29-17-8-18-30-50;1-37-27-29-51-47(31-37)56(39-19-11-7-12-20-39,40-21-13-8-14-22-40)49-33-43-44-34-50-54(36-46(44)55(3,4)45(43)35-53(49)58(51)5)59(6)52-30-28-38(2)32-48(52)57(50,41-23-15-9-16-24-41)42-25-17-10-18-26-42;;;/h11-22,25-50H,7-10,23-24H2,1-6H3;5-44H,1-4H3;7-36H,1-6H3;3*1H4.

What are the key properties of 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene has a molecular weight of 2691.70 g/mol, XLogP of 52.01, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene is sourced from PubChem (CID 159857765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).