9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine

C223H173F3N8O4 — CID 165091908

About 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine

9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine (PubChem CID 165091908) has the molecular formula C223H173F3N8O4 and a molecular weight of 3085.88 g/mol. Its IUPAC name is 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine
• PubChem CID: 165091908
• Molecular Formula: C223H173F3N8O4
• Molecular Weight: 3085.88 g/mol
• Exact Mass: 3083.35
• IUPAC Name: 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine
• SMILES: CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C95H83N3O2.C64H45F3N2O.C64H45N3O/c1-93(2,3)62-50-54-65(55-51-62)97(83-48-26-42-75-73-40-24-38-67(89(73)99-91(75)83)60-28-10-7-11-29-60)85-58-79-87(71-36-18-16-34-69(71)85)88-72-37-19-17-35-70(72)86(59-80(88)95(79)77-44-20-22-46-81(77)96(64-32-14-9-15-33-64)82-47-23-21-45-78(82)95)98(66-56-52-63(53-57-66)94(4,5)6)84-49-27-43-76-74-41-25-39-68(90(74)100-92(76)84)61-30-12-8-13-31-61;65-64(66,67)42-34-36-44(37-35-42)69(57-32-16-27-50-49-26-15-25-46(61(49)70-62(50)57)40-17-3-1-4-18-40)58-39-54-60(48-24-10-9-23-47(48)58)59-45-22-8-7-19-41(45)33-38-53(59)63(54)51-28-11-13-30-55(51)68(43-20-5-2-6-21-43)56-31-14-12-29-52(56)63;65-40-41-33-36-45(37-34-41)67(58-32-16-27-51-50-26-15-25-47(62(50)68-63(51)58)42-17-3-1-4-18-42)59-39-55-61(49-24-10-9-23-48(49)59)60-46-22-8-7-19-43(46)35-38-54(60)64(55)52-28-11-13-30-56(52)66(44-20-5-2-6-21-44)57-31-14-12-29-53(57)64/h9,14-27,32-61H,7-8,10-13,28-31H2,1-6H3;2,5-16,19-40H,1,3-4,17-18H2;2,5-16,19-39,42H,1,3-4,17-18H2
• InChIKey: WVTKQRUGNMYPEZ-UHFFFAOYSA-N
• XLogP: 63.57
• TPSA: 99.03 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.88
LogP ≤ 5	63.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine?

The IUPAC name of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine (CID 165091908) is 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine.

What is the SMILES notation for 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine?

The canonical SMILES for 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine is CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.FC(F)(F)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine?

The InChIKey is WVTKQRUGNMYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H83N3O2.C64H45F3N2O.C64H45N3O/c1-93(2,3)62-50-54-65(55-51-62)97(83-48-26-42-75-73-40-24-38-67(89(73)99-91(75)83)60-28-10-7-11-29-60)85-58-79-87(71-36-18-16-34-69(71)85)88-72-37-19-17-35-70(72)86(59-80(88)95(79)77-44-20-22-46-81(77)96(64-32-14-9-15-33-64)82-47-23-21-45-78(82)95)98(66-56-52-63(53-57-66)94(4,5)6)84-49-27-43-76-74-41-25-39-68(90(74)100-92(76)84)61-30-12-8-13-31-61;65-64(66,67)42-34-36-44(37-35-42)69(57-32-16-27-50-49-26-15-25-46(61(49)70-62(50)57)40-17-3-1-4-18-40)58-39-54-60(48-24-10-9-23-47(48)58)59-45-22-8-7-19-41(45)33-38-53(59)63(54)51-28-11-13-30-55(51)68(43-20-5-2-6-21-43)56-31-14-12-29-52(56)63;65-40-41-33-36-45(37-34-41)67(58-32-16-27-51-50-26-15-25-47(62(50)68-63(51)58)42-17-3-1-4-18-42)59-39-55-61(49-24-10-9-23-48(49)59)60-46-22-8-7-19-43(46)35-38-54(60)64(55)52-28-11-13-30-56(52)66(44-20-5-2-6-21-44)57-31-14-12-29-53(57)64/h9,14-27,32-61H,7-8,10-13,28-31H2,1-6H3;2,5-16,19-40H,1,3-4,17-18H2;2,5-16,19-39,42H,1,3-4,17-18H2.

What are the key properties of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine?

9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine has a molecular weight of 3085.88 g/mol, XLogP of 63.57, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-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;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-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'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-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'-amine is sourced from PubChem (CID 165091908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).