17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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

C66H72N4O — CID 170935140

About 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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

17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 170935140) has the molecular formula C66H72N4O and a molecular weight of 937.33 g/mol. Its IUPAC name is 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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: 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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: 170935140
• Molecular Formula: C66H72N4O
• Molecular Weight: 937.33 g/mol
• Exact Mass: 936.57
• IUPAC Name: 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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: Cc1cc(C)c(-c2cc(Oc3cc4c(cc3C)C(C)(C)c3cc(C(C)(C)C)cc5c6cccnc6n-4c35)cc(C3=N[C@]4(C)c5cc(C)c(C)cc5C[C@]4(C)N3c3c(C(C)C)cccc3C(C)C)c2)c(C)c1
• InChI: InChI=1S/C66H72N4O/c1-36(2)49-20-18-21-50(37(3)4)59(49)70-61(68-66(17)53-27-40(7)39(6)26-46(53)35-65(66,70)16)45-29-44(58-42(9)24-38(5)25-43(58)10)30-48(31-45)71-57-34-56-54(28-41(57)8)64(14,15)55-33-47(63(11,12)13)32-52-51-22-19-23-67-62(51)69(56)60(52)55/h18-34,36-37H,35H2,1-17H3/t65-,66+/m0/s1
• InChIKey: DHJDNBDJWOWSPL-OTDXRIAJSA-N
• XLogP: 17.17
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.33
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 170935140) is 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 Cc1cc(C)c(-c2cc(Oc3cc4c(cc3C)C(C)(C)c3cc(C(C)(C)C)cc5c6cccnc6n-4c35)cc(C3=N[C@]4(C)c5cc(C)c(C)cc5C[C@]4(C)N3c3c(C(C)C)cccc3C(C)C)c2)c(C)c1.

What is the InChIKey of 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 DHJDNBDJWOWSPL-OTDXRIAJSA-N. The full InChI is InChI=1S/C66H72N4O/c1-36(2)49-20-18-21-50(37(3)4)59(49)70-61(68-66(17)53-27-40(7)39(6)26-46(53)35-65(66,70)16)45-29-44(58-42(9)24-38(5)25-43(58)10)30-48(31-45)71-57-34-56-54(28-41(57)8)64(14,15)55-33-47(63(11,12)13)32-52-51-22-19-23-67-62(51)69(56)60(52)55/h18-34,36-37H,35H2,1-17H3/t65-,66+/m0/s1.

What are the key properties of 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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?

17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 937.33 g/mol, XLogP of 17.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-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 170935140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).