5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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

C75H43F2N3O2 — CID 138651521

About 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 138651521) has the molecular formula C75H43F2N3O2 and a molecular weight of 1056.18 g/mol. Its IUPAC name is 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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: 138651521
• Molecular Formula: C75H43F2N3O2
• Molecular Weight: 1056.18 g/mol
• Exact Mass: 1055.33
• IUPAC Name: 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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: Fc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C75H43F2N3O2/c76-46-29-33-48(34-30-46)78(66-23-11-19-56-54-17-5-9-25-68(54)81-73(56)66)50-37-40-64-58(41-50)59-42-51(79(49-35-31-47(77)32-36-49)67-24-12-20-57-55-18-6-10-26-69(55)82-74(57)67)43-63-72(59)80(64)65-22-8-7-21-60(65)75(63)61-38-27-44-13-1-3-15-52(44)70(61)71-53-16-4-2-14-45(53)28-39-62(71)75/h1-43H
• InChIKey: XJBWJNGCUDJHQF-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.18
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 138651521) is 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 Fc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 XJBWJNGCUDJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43F2N3O2/c76-46-29-33-48(34-30-46)78(66-23-11-19-56-54-17-5-9-25-68(54)81-73(56)66)50-37-40-64-58(41-50)59-42-51(79(49-35-31-47(77)32-36-49)67-24-12-20-57-55-18-6-10-26-69(55)82-74(57)67)43-63-72(59)80(64)65-22-8-7-21-60(65)75(63)61-38-27-44-13-1-3-15-52(44)70(61)71-53-16-4-2-14-45(53)28-39-62(71)75/h1-43H.

What are the key properties of 5-N,10-N-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 1056.18 g/mol, XLogP of 20.78, 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-di(dibenzofuran-4-yl)-5-N,10-N-bis(4-fluorophenyl)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 138651521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).