9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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

C75H41F4N3O2 — CID 137416384

IUPAC9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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
SMILESFc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1
InChIInChI=1S/C75H41F4N3O2/c76-42-32-36-44(37-33-42)80(64-30-12-22-54-52-20-10-26-60(78)71(52)83-73(54)64)66-40-58-68(49-17-3-1-14-46(49)66)69-50-18-4-2-15-47(50)67(81(45-38-34-43(77)35-39-45)65-31-13-23-55-53-21-11-27-61(79)72(53)84-74(55)65)41-59(69)75(58)56-24-6-8-29-63(56)82-62-28-7-5-16-48(62)51-19-9-25-57(75)70(51)82/h1-41H
InChIKeyGUGDXNKVWSYEJL-UHFFFAOYSA-N
MW1092.16 g/mol
LogP21.06
Rot. Bonds6

About 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 137416384) has the molecular formula C75H41F4N3O2 and a molecular weight of 1092.16 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 Name9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 CID137416384
Molecular FormulaC75H41F4N3O2
Molecular Weight1092.16 g/mol
Exact Mass1091.31
IUPAC Name9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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
SMILESFc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1
InChIInChI=1S/C75H41F4N3O2/c76-42-32-36-44(37-33-42)80(64-30-12-22-54-52-20-10-26-60(78)71(52)83-73(54)64)66-40-58-68(49-17-3-1-14-46(49)66)69-50-18-4-2-15-47(50)67(81(45-38-34-43(77)35-39-45)65-31-13-23-55-53-21-11-27-61(79)72(53)84-74(55)65)41-59(69)75(58)56-24-6-8-29-63(56)82-62-28-7-5-16-48(62)51-19-9-25-57(75)70(51)82/h1-41H
InChIKeyGUGDXNKVWSYEJL-UHFFFAOYSA-N
XLogP21.06
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.16
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 137416384) is 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 Fc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(F)cccc45)c4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.
What is the InChIKey of 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 GUGDXNKVWSYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H41F4N3O2/c76-42-32-36-44(37-33-42)80(64-30-12-22-54-52-20-10-26-60(78)71(52)83-73(54)64)66-40-58-68(49-17-3-1-14-46(49)66)69-50-18-4-2-15-47(50)67(81(45-38-34-43(77)35-39-45)65-31-13-23-55-53-21-11-27-61(79)72(53)84-74(55)65)41-59(69)75(58)56-24-6-8-29-63(56)82-62-28-7-5-16-48(62)51-19-9-25-57(75)70(51)82/h1-41H.
What are the key properties of 9-N',15-N'-bis(6-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 1092.16 g/mol, XLogP of 21.06, 6 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-fluorodibenzofuran-4-yl)-9-N',15-N'-bis(4-fluorophenyl)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 137416384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).