2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene

C142H107N9O — CID 157487293

About 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene

2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene (PubChem CID 157487293) has the molecular formula C142H107N9O and a molecular weight of 1955.48 g/mol. Its IUPAC name is 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
• PubChem CID: 157487293
• Molecular Formula: C142H107N9O
• Molecular Weight: 1955.48 g/mol
• Exact Mass: 1953.86
• IUPAC Name: 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6nc7ccccc7n6-c6ccccc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6nnc(-c7ccccc7)o6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-n6c(-c7ccccc7)nc7ccccc76)cc4)c3cc21)C(C)(C)c1ccccc1-5
• InChI: InChI=1S/2C49H37N3.C44H33N3O/c1-48(2)39-18-10-8-16-33(39)35-26-37-38-27-36-34-17-9-11-19-40(34)49(3,4)42(36)29-46(38)51(45(37)28-41(35)48)32-24-22-30(23-25-32)47-50-43-20-12-13-21-44(43)52(47)31-14-6-5-7-15-31;1-48(2)39-18-10-8-16-33(39)35-26-37-38-27-36-34-17-9-11-19-40(34)49(3,4)42(36)29-46(38)51(45(37)28-41(35)48)31-22-24-32(25-23-31)52-44-21-13-12-20-43(44)50-47(52)30-14-6-5-7-15-30;1-43(2)35-16-10-8-14-29(35)31-22-33-34-23-32-30-15-9-11-17-36(30)44(3,4)38(32)25-40(34)47(39(33)24-37(31)43)28-20-18-27(19-21-28)42-46-45-41(48-42)26-12-6-5-7-13-26/h2*5-29H,1-4H3;5-25H,1-4H3
• InChIKey: BWWDIYQBSZCTGR-UHFFFAOYSA-N
• XLogP: 35.92
• TPSA: 89.35 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1955.48
LogP ≤ 5	35.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?

The IUPAC name of 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene (CID 157487293) is 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene.

What is the SMILES notation for 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?

The canonical SMILES for 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6nc7ccccc7n6-c6ccccc6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6nnc(-c7ccccc7)o6)cc4)c3cc21)C(C)(C)c1ccccc1-5.CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-n6c(-c7ccccc7)nc7ccccc76)cc4)c3cc21)C(C)(C)c1ccccc1-5.

What is the InChIKey of 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?

The InChIKey is BWWDIYQBSZCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H37N3.C44H33N3O/c1-48(2)39-18-10-8-16-33(39)35-26-37-38-27-36-34-17-9-11-19-40(34)49(3,4)42(36)29-46(38)51(45(37)28-41(35)48)32-24-22-30(23-25-32)47-50-43-20-12-13-21-44(43)52(47)31-14-6-5-7-15-31;1-48(2)39-18-10-8-16-33(39)35-26-37-38-27-36-34-17-9-11-19-40(34)49(3,4)42(36)29-46(38)51(45(37)28-41(35)48)31-22-24-32(25-23-31)52-44-21-13-12-20-43(44)50-47(52)30-14-6-5-7-15-30;1-43(2)35-16-10-8-14-29(35)31-22-33-34-23-32-30-15-9-11-17-36(30)44(3,4)38(32)25-40(34)47(39(33)24-37(31)43)28-20-18-27(19-21-28)42-46-45-41(48-42)26-12-6-5-7-13-26/h2*5-29H,1-4H3;5-25H,1-4H3.

What are the key properties of 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?

2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene has a molecular weight of 1955.48 g/mol, XLogP of 35.92, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole;11,11,19,19-tetramethyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(2-phenylbenzimidazol-1-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene is sourced from PubChem (CID 157487293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).