12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene

C58H47N — CID 155017492

About 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene

12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene (PubChem CID 155017492) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene.

Molecular Properties

• Compound Name: 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene
• PubChem CID: 155017492
• Molecular Formula: C58H47N
• Molecular Weight: 758.02 g/mol
• Exact Mass: 757.37
• IUPAC Name: 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene
• SMILES: CC1c2ccccc2-c2cc3c(cc21)N(c1cc2c(c4ccccc14)-c1cc4c(cc1C2(C)C)-c1ccccc1C4(C)C)c1cc2c(cc1C3)-c1ccccc1C2(C)C
• InChI: InChI=1S/C58H47N/c1-32-35-16-8-9-17-36(35)42-25-33-24-34-26-43-37-18-12-14-22-46(37)57(4,5)50(43)30-53(34)59(52(33)29-41(32)42)54-31-51-55(40-21-11-10-20-39(40)54)45-28-48-44(27-49(45)58(51,6)7)38-19-13-15-23-47(38)56(48,2)3/h8-23,25-32H,24H2,1-7H3
• InChIKey: TVENOPZKFNZRAD-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.02
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene?

The IUPAC name of 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene (CID 155017492) is 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene.

What is the SMILES notation for 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene?

The canonical SMILES for 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene is CC1c2ccccc2-c2cc3c(cc21)N(c1cc2c(c4ccccc14)-c1cc4c(cc1C2(C)C)-c1ccccc1C4(C)C)c1cc2c(cc1C3)-c1ccccc1C2(C)C.

What is the InChIKey of 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene?

The InChIKey is TVENOPZKFNZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-32-35-16-8-9-17-36(35)42-25-33-24-34-26-43-37-18-12-14-22-46(37)57(4,5)50(43)30-53(34)59(52(33)29-41(32)42)54-31-51-55(40-21-11-10-20-39(40)54)45-28-48-44(27-49(45)58(51,6)7)38-19-13-15-23-47(38)56(48,2)3/h8-23,25-32H,24H2,1-7H3.

What are the key properties of 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene?

12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene has a molecular weight of 758.02 g/mol, XLogP of 15.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12,20-trimethyl-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(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 155017492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).