14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C63H47NO2S — CID 164700815

About 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 164700815) has the molecular formula C63H47NO2S and a molecular weight of 882.14 g/mol. Its IUPAC name is 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

• Compound Name: 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• PubChem CID: 164700815
• Molecular Formula: C63H47NO2S
• Molecular Weight: 882.14 g/mol
• Exact Mass: 881.33
• IUPAC Name: 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2c1-c1ccccc1S2=O)C3(C)C
• InChI: InChI=1S/C63H47NO2S/c1-61(2)47-29-30-55-58(43-22-14-16-24-54(43)67(55)65)57(47)46-35-50-45(34-51(46)61)40-27-25-38(31-48(40)62(50,3)4)64(37-19-11-8-12-20-37)39-26-28-41-49(32-39)63(5,6)52-33-44(36-17-9-7-10-18-36)60-59(56(41)52)42-21-13-15-23-53(42)66-60/h7-35H,1-6H3
• InChIKey: AXXWOPVHMQSHKU-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 33.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.14
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The IUPAC name of 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 164700815) is 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

What is the SMILES notation for 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The canonical SMILES for 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)ccc2-c2cc3c(cc21)-c1c(ccc2c1-c1ccccc1S2=O)C3(C)C.

What is the InChIKey of 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The InChIKey is AXXWOPVHMQSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47NO2S/c1-61(2)47-29-30-55-58(43-22-14-16-24-54(43)67(55)65)57(47)46-35-50-45(34-51(46)61)40-27-25-38(31-48(40)62(50,3)4)64(37-19-11-8-12-20-37)39-26-28-41-49(32-39)63(5,6)52-33-44(36-17-9-7-10-18-36)60-59(56(41)52)42-21-13-15-23-53(42)66-60/h7-35H,1-6H3.

What are the key properties of 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 882.14 g/mol, XLogP of 16.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-N,11-diphenyl-N-(15,15,25,25-tetramethyl-10-oxo-10λ4-thiaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 164700815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).