5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine

C77H47F2N3O2 — CID 138651535

About 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine

5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine (PubChem CID 138651535) has the molecular formula C77H47F2N3O2 and a molecular weight of 1084.24 g/mol. Its IUPAC name is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine.

Molecular Properties

• Compound Name: 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine
• PubChem CID: 138651535
• Molecular Formula: C77H47F2N3O2
• Molecular Weight: 1084.24 g/mol
• Exact Mass: 1083.36
• IUPAC Name: 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine
• SMILES: Cc1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4c(c3)c3cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(C)cccc56)cc5c3n4-c3ccccc3C53c4ccc5ccccc5c4-c4c3ccc3ccccc43)cccc12
• InChI: InChI=1S/C77H47F2N3O2/c1-44-13-9-19-56-58-21-11-25-68(75(58)83-73(44)56)80(50-33-29-48(78)30-34-50)52-37-40-66-60(41-52)61-42-53(81(51-35-31-49(79)32-36-51)69-26-12-22-59-57-20-10-14-45(2)74(57)84-76(59)69)43-65-72(61)82(66)67-24-8-7-23-62(67)77(65)63-38-27-46-15-3-5-17-54(46)70(63)71-55-18-6-4-16-47(55)28-39-64(71)77/h3-43H,1-2H3
• InChIKey: MEYANURYHLDXNS-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.24
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine?

The IUPAC name of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine (CID 138651535) is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine.

What is the SMILES notation for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine?

The canonical SMILES for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine is Cc1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4c(c3)c3cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(C)cccc56)cc5c3n4-c3ccccc3C53c4ccc5ccccc5c4-c4c3ccc3ccccc43)cccc12.

What is the InChIKey of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine?

The InChIKey is MEYANURYHLDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H47F2N3O2/c1-44-13-9-19-56-58-21-11-25-68(75(58)83-73(44)56)80(50-33-29-48(78)30-34-50)52-37-40-66-60(41-52)61-42-53(81(51-35-31-49(79)32-36-51)69-26-12-22-59-57-20-10-14-45(2)74(57)84-76(59)69)43-65-72(61)82(66)67-24-8-7-23-62(67)77(65)63-38-27-46-15-3-5-17-54(46)70(63)71-55-18-6-4-16-47(55)28-39-64(71)77/h3-43H,1-2H3.

What are the key properties of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine?

5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine has a molecular weight of 1084.24 g/mol, XLogP of 21.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(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]-5,10-diamine is sourced from PubChem (CID 138651535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).