10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

C50H64N4O — CID 170934387

About 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (PubChem CID 170934387) has the molecular formula C50H64N4O and a molecular weight of 740.11 g/mol. Its IUPAC name is 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
• PubChem CID: 170934387
• Molecular Formula: C50H64N4O
• Molecular Weight: 740.11 g/mol
• Exact Mass: 739.53
• IUPAC Name: 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
• SMILES: [2H]C([2H])([2H])[C@@]1(C(C)(C)C)CN(C2CCCCC2)C(c2cc(Oc3cc4c(cc3C)C(C)(C)c3cc(C(C)(C)C)cc5c6cc(C)cnc6n-4c35)cc(C(C)(C)C)c2)=N1
• InChI: InChI=1S/C50H64N4O/c1-30-20-38-37-25-34(47(6,7)8)26-40-43(37)54(45(38)51-28-30)41-27-42(31(2)21-39(41)49(40,12)13)55-36-23-32(22-33(24-36)46(3,4)5)44-52-50(14,48(9,10)11)29-53(44)35-18-16-15-17-19-35/h20-28,35H,15-19,29H2,1-14H3/t50-/m0/s1/i14D3
• InChIKey: TXJIWDWPLNPJDZ-VOIKUNRKSA-N
• XLogP: 13.02
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.11
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?

The IUPAC name of 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (CID 170934387) is 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.

What is the SMILES notation for 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?

The canonical SMILES for 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is [2H]C([2H])([2H])[C@@]1(C(C)(C)C)CN(C2CCCCC2)C(c2cc(Oc3cc4c(cc3C)C(C)(C)c3cc(C(C)(C)C)cc5c6cc(C)cnc6n-4c35)cc(C(C)(C)C)c2)=N1.

What is the InChIKey of 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?

The InChIKey is TXJIWDWPLNPJDZ-VOIKUNRKSA-N. The full InChI is InChI=1S/C50H64N4O/c1-30-20-38-37-25-34(47(6,7)8)26-40-43(37)54(45(38)51-28-30)41-27-42(31(2)21-39(41)49(40,12)13)55-36-23-32(22-33(24-36)46(3,4)5)44-52-50(14,48(9,10)11)29-53(44)35-18-16-15-17-19-35/h20-28,35H,15-19,29H2,1-14H3/t50-/m0/s1/i14D3.

What are the key properties of 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?

10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 740.11 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-tert-butyl-17-[3-tert-butyl-5-[(5R)-5-tert-butyl-3-cyclohexyl-5-(trideuteriomethyl)-4H-imidazol-2-yl]phenoxy]-5,13,13,16-tetramethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 170934387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).