17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene

C59H48N2O — CID 170247489

About 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene

17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene (PubChem CID 170247489) has the molecular formula C59H48N2O and a molecular weight of 801.05 g/mol. Its IUPAC name is 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene.

Molecular Properties

• Compound Name: 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
• PubChem CID: 170247489
• Molecular Formula: C59H48N2O
• Molecular Weight: 801.05 g/mol
• Exact Mass: 800.38
• IUPAC Name: 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
• SMILES: Cc1cc2c3c(c1)N1c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc(c41)C3N(c1ccc3c(c1)C(C)(C)CCC3(C)C)c1cc3oc4ccccc4c3cc1-2
• InChI: InChI=1S/C59H48N2O/c1-36-31-44-42-34-43-40-21-12-15-26-52(40)62-53(43)35-50(42)60(39-27-28-45-48(33-39)58(4,5)30-29-57(45,2)3)56-41-22-16-24-47-55(41)61(51(32-36)54(44)56)49-25-14-13-23-46(49)59(47,37-17-8-6-9-18-37)38-19-10-7-11-20-38/h6-28,31-35,56H,29-30H2,1-5H3
• InChIKey: ZZUUQYKODGHJQO-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.05
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?

The IUPAC name of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene (CID 170247489) is 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene.

What is the SMILES notation for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?

The canonical SMILES for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene is Cc1cc2c3c(c1)N1c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc(c41)C3N(c1ccc3c(c1)C(C)(C)CCC3(C)C)c1cc3oc4ccccc4c3cc1-2.

What is the InChIKey of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?

The InChIKey is ZZUUQYKODGHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2O/c1-36-31-44-42-34-43-40-21-12-15-26-52(40)62-53(43)35-50(42)60(39-27-28-45-48(33-39)58(4,5)30-29-57(45,2)3)56-41-22-16-24-47-55(41)61(51(32-36)54(44)56)49-25-14-13-23-46(49)59(47,37-17-8-6-9-18-37)38-19-10-7-11-20-38/h6-28,31-35,56H,29-30H2,1-5H3.

What are the key properties of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?

17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene has a molecular weight of 801.05 g/mol, XLogP of 15.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-29-oxa-14,33-diazanonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene is sourced from PubChem (CID 170247489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).