5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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

C89H63F6N3O2 — CID 138651571

IUPAC5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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
SMILESFC(F)(F)c1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C89H63F6N3O2/c90-88(91,92)56-37-41-58(42-38-56)96(78-33-15-29-68-66-27-13-25-64(83(66)99-85(68)78)52-17-3-1-4-18-52)60-45-48-76-70(49-60)71-50-61(97(59-43-39-57(40-44-59)89(93,94)95)79-34-16-30-69-67-28-14-26-65(84(67)100-86(69)79)53-19-5-2-6-20-53)51-75-82(71)98(76)77-32-12-11-31-72(77)87(75)73-46-35-54-21-7-9-23-62(54)80(73)81-63-24-10-8-22-55(63)36-47-74(81)87/h7-16,21-53H,1-6,17-20H2
InChIKeyZXPKGRYJZVYPOW-UHFFFAOYSA-N
MW1320.49 g/mol
LogP26.64
Rot. Bonds8

About 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 138651571) has the molecular formula C89H63F6N3O2 and a molecular weight of 1320.49 g/mol. Its IUPAC name is 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 CID138651571
Molecular FormulaC89H63F6N3O2
Molecular Weight1320.49 g/mol
Exact Mass1319.48
IUPAC Name5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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
SMILESFC(F)(F)c1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C89H63F6N3O2/c90-88(91,92)56-37-41-58(42-38-56)96(78-33-15-29-68-66-27-13-25-64(83(66)99-85(68)78)52-17-3-1-4-18-52)60-45-48-76-70(49-60)71-50-61(97(59-43-39-57(40-44-59)89(93,94)95)79-34-16-30-69-67-28-14-26-65(84(67)100-86(69)79)53-19-5-2-6-20-53)51-75-82(71)98(76)77-32-12-11-31-72(77)87(75)73-46-35-54-21-7-9-23-62(54)80(73)81-63-24-10-8-22-55(63)36-47-74(81)87/h7-16,21-53H,1-6,17-20H2
InChIKeyZXPKGRYJZVYPOW-UHFFFAOYSA-N
XLogP26.64
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.49
LogP ≤ 526.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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

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Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 138651571) is 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 FC(F)(F)c1ccc(N(c2ccc3c(c2)c2cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc4c2n3-c2ccccc2C42c3ccc4ccccc4c3-c3c2ccc2ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 ZXPKGRYJZVYPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63F6N3O2/c90-88(91,92)56-37-41-58(42-38-56)96(78-33-15-29-68-66-27-13-25-64(83(66)99-85(68)78)52-17-3-1-4-18-52)60-45-48-76-70(49-60)71-50-61(97(59-43-39-57(40-44-59)89(93,94)95)79-34-16-30-69-67-28-14-26-65(84(67)100-86(69)79)53-19-5-2-6-20-53)51-75-82(71)98(76)77-32-12-11-31-72(77)87(75)73-46-35-54-21-7-9-23-62(54)80(73)81-63-24-10-8-22-55(63)36-47-74(81)87/h7-16,21-53H,1-6,17-20H2.
What are the key properties of 5-N,10-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 1320.49 g/mol, XLogP of 26.64, 8 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(6-cyclohexyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]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 138651571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).