2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene

C60H51N — CID 129305206

About 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene

2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene (PubChem CID 129305206) has the molecular formula C60H51N and a molecular weight of 786.08 g/mol. Its IUPAC name is 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene.

Molecular Properties

• Compound Name: 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
• PubChem CID: 129305206
• Molecular Formula: C60H51N
• Molecular Weight: 786.08 g/mol
• Exact Mass: 785.40
• IUPAC Name: 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
• SMILES: CC1c2cc3c(cc2N(c2cc4c(c5ccccc25)-c2cc5c(cc2C4(C)C)-c2ccccc2C5(C)C)c2cc4c(cc21)-c1ccccc1C4(C)C)C(C)(C)c1ccccc1-3
• InChI: InChI=1S/C60H51N/c1-33-39-26-41-34-18-12-15-23-45(34)58(4,5)50(41)30-54(39)61(55-31-51-42(27-40(33)55)35-19-13-16-24-46(35)59(51,6)7)53-32-52-56(38-22-11-10-21-37(38)53)44-29-48-43(28-49(44)60(52,8)9)36-20-14-17-25-47(36)57(48,2)3/h10-33H,1-9H3
• InChIKey: WIFUYUUIADDYBL-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.08
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?

The IUPAC name of 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene (CID 129305206) is 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene.

What is the SMILES notation for 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?

The canonical SMILES for 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene is CC1c2cc3c(cc2N(c2cc4c(c5ccccc25)-c2cc5c(cc2C4(C)C)-c2ccccc2C5(C)C)c2cc4c(cc21)-c1ccccc1C4(C)C)C(C)(C)c1ccccc1-3.

What is the InChIKey of 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?

The InChIKey is WIFUYUUIADDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N/c1-33-39-26-41-34-18-12-15-23-45(34)58(4,5)50(41)30-54(39)61(55-31-51-42(27-40(33)55)35-19-13-16-24-46(35)59(51,6)7)53-32-52-56(38-22-11-10-21-37(38)53)44-29-48-43(28-49(44)60(52,8)9)36-20-14-17-25-47(36)57(48,2)3/h10-33H,1-9H3.

What are the key properties of 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?

2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene has a molecular weight of 786.08 g/mol, XLogP of 16.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene is sourced from PubChem (CID 129305206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).