15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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

C77H46F3N3O2 — CID 160985657

About 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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

15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 160985657) has the molecular formula C77H46F3N3O2 and a molecular weight of 1102.23 g/mol. Its IUPAC name is 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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: 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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: 160985657
• Molecular Formula: C77H46F3N3O2
• Molecular Weight: 1102.23 g/mol
• Exact Mass: 1101.35
• IUPAC Name: 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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: Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(F)(F)F)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12
• InChI: InChI=1S/C77H46F3N3O2/c1-45-21-16-32-54-56-34-19-41-65(74(56)84-72(45)54)81(46-22-4-2-5-23-46)67-43-61-69(51-29-10-8-26-48(51)67)70-52-30-11-9-27-49(52)68(82(47-24-6-3-7-25-47)66-42-20-35-57-55-33-18-38-60(77(78,79)80)73(55)85-75(57)66)44-62(70)76(61)58-36-13-15-40-64(58)83-63-39-14-12-28-50(63)53-31-17-37-59(76)71(53)83/h2-44H,1H3
• InChIKey: PIIIGVJXGVPDMB-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.23
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 160985657) is 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(F)(F)F)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12.

What is the InChIKey of 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 PIIIGVJXGVPDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H46F3N3O2/c1-45-21-16-32-54-56-34-19-41-65(74(56)84-72(45)54)81(46-22-4-2-5-23-46)67-43-61-69(51-29-10-8-26-48(51)67)70-52-30-11-9-27-49(52)68(82(47-24-6-3-7-25-47)66-42-20-35-57-55-33-18-38-60(77(78,79)80)73(55)85-75(57)66)44-62(70)76(61)58-36-13-15-40-64(58)83-63-39-14-12-28-50(63)53-31-17-37-59(76)71(53)83/h2-44H,1H3.

What are the key properties of 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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?

15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 1102.23 g/mol, XLogP of 21.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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 160985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).