5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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

C77H41F8N3O2 — CID 138651540

IUPAC5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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
SMILESFc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(C(F)(F)F)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C77H41F8N3O2/c78-44-27-31-46(32-28-44)86(66-23-9-17-54-52-15-7-20-61(76(80,81)82)71(52)89-73(54)66)48-35-38-64-56(39-48)57-40-49(87(47-33-29-45(79)30-34-47)67-24-10-18-55-53-16-8-21-62(77(83,84)85)72(53)90-74(55)67)41-63-70(57)88(64)65-22-6-5-19-58(65)75(63)59-36-25-42-11-1-3-13-50(42)68(59)69-51-14-4-2-12-43(51)26-37-60(69)75/h1-41H
InChIKeyHWNYFBWEHQXHHK-UHFFFAOYSA-N
MW1192.18 g/mol
LogP22.82
Rot. Bonds6

About 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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-(trifluoromethyl)dibenzofuran-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 138651540) has the molecular formula C77H41F8N3O2 and a molecular weight of 1192.18 g/mol. Its IUPAC name is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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 Name5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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 CID138651540
Molecular FormulaC77H41F8N3O2
Molecular Weight1192.18 g/mol
Exact Mass1191.31
IUPAC Name5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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
SMILESFc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(C(F)(F)F)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C77H41F8N3O2/c78-44-27-31-46(32-28-44)86(66-23-9-17-54-52-15-7-20-61(76(80,81)82)71(52)89-73(54)66)48-35-38-64-56(39-48)57-40-49(87(47-33-29-45(79)30-34-47)67-24-10-18-55-53-16-8-21-62(77(83,84)85)72(53)90-74(55)67)41-63-70(57)88(64)65-22-6-5-19-58(65)75(63)59-36-25-42-11-1-3-13-50(42)68(59)69-51-14-4-2-12-43(51)26-37-60(69)75/h1-41H
InChIKeyHWNYFBWEHQXHHK-UHFFFAOYSA-N
XLogP22.82
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.18
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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-(trifluoromethyl)dibenzofuran-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 138651540) is 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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-(trifluoromethyl)dibenzofuran-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-(trifluoromethyl)dibenzofuran-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 Fc1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(C(F)(F)F)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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 HWNYFBWEHQXHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H41F8N3O2/c78-44-27-31-46(32-28-44)86(66-23-9-17-54-52-15-7-20-61(76(80,81)82)71(52)89-73(54)66)48-35-38-64-56(39-48)57-40-49(87(47-33-29-45(79)30-34-47)67-24-10-18-55-53-16-8-21-62(77(83,84)85)72(53)90-74(55)67)41-63-70(57)88(64)65-22-6-5-19-58(65)75(63)59-36-25-42-11-1-3-13-50(42)68(59)69-51-14-4-2-12-43(51)26-37-60(69)75/h1-41H.
What are the key properties of 5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis[6-(trifluoromethyl)dibenzofuran-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-(trifluoromethyl)dibenzofuran-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 1192.18 g/mol, XLogP of 22.82, 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-(trifluoromethyl)dibenzofuran-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 138651540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).