9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

C89H63F6N3O2 — CID 138651986

About 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine

9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (PubChem CID 138651986) has the molecular formula C89H63F6N3O2 and a molecular weight of 1320.49 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• PubChem CID: 138651986
• Molecular Formula: C89H63F6N3O2
• Molecular Weight: 1320.49 g/mol
• Exact Mass: 1319.48
• IUPAC Name: 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
• SMILES: FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C89H63F6N3O2/c90-88(91,92)54-42-46-56(47-43-54)96(76-40-18-34-68-66-32-15-29-58(83(66)99-85(68)76)52-20-3-1-4-21-52)78-50-72-80(63-27-9-7-24-60(63)78)81-64-28-10-8-25-61(64)79(51-73(81)87(72)70-36-12-14-39-75(70)98-74-38-13-11-26-62(74)65-31-17-37-71(87)82(65)98)97(57-48-44-55(45-49-57)89(93,94)95)77-41-19-35-69-67-33-16-30-59(84(67)100-86(69)77)53-22-5-2-6-23-53/h7-19,24-53H,1-6,20-23H2
• InChIKey: IDOCXYXJMRAMBV-UHFFFAOYSA-N
• XLogP: 26.64
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1320.49
LogP ≤ 5	26.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The IUPAC name of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine (CID 138651986) is 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine.

What is the SMILES notation for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The canonical SMILES for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

The InChIKey is IDOCXYXJMRAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63F6N3O2/c90-88(91,92)54-42-46-56(47-43-54)96(76-40-18-34-68-66-32-15-29-58(83(66)99-85(68)76)52-20-3-1-4-21-52)78-50-72-80(63-27-9-7-24-60(63)78)81-64-28-10-8-25-61(64)79(51-73(81)87(72)70-36-12-14-39-75(70)98-74-38-13-11-26-62(74)65-31-17-37-71(87)82(65)98)97(57-48-44-55(45-49-57)89(93,94)95)77-41-19-35-69-67-33-16-30-59(84(67)100-86(69)77)53-22-5-2-6-23-53/h7-19,24-53H,1-6,20-23H2.

What are the key properties of 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine?

9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine has a molecular weight of 1320.49 g/mol, XLogP of 26.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine is sourced from PubChem (CID 138651986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).