9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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

C179H138F3N7 — CID 165044497

About 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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 165044497) has the molecular formula C179H138F3N7 and a molecular weight of 2444.12 g/mol. Its IUPAC name is 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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: 165044497
• Molecular Formula: C179H138F3N7
• Molecular Weight: 2444.12 g/mol
• Exact Mass: 2442.10
• IUPAC Name: 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32C3=CCCC=C3N(c3ccccc3)c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C71H57F2N3.C55H43FN2.C53H38N2/c1-69(2,3)46-28-36-51(37-29-46)74(53-40-32-48(72)33-41-53)65-44-61-67(57-22-12-10-20-55(57)65)68-58-23-13-11-21-56(58)66(75(54-42-34-49(73)35-43-54)52-38-30-47(31-39-52)70(4,5)6)45-62(68)71(61)59-24-14-16-26-63(59)76(50-18-8-7-9-19-50)64-27-17-15-25-60(64)71;1-54(2,3)37-26-30-40(31-27-37)57(41-32-28-38(56)29-33-41)51-35-48-53(44-20-10-9-19-43(44)51)52-42-18-8-7-15-36(42)25-34-47(52)55(48)45-21-11-13-23-49(45)58(39-16-5-4-6-17-39)50-24-14-12-22-46(50)55;1-35-24-29-39(30-25-35)54(40-31-26-36(2)27-32-40)50-34-47-52(43-19-9-8-18-42(43)50)51-41-17-7-6-14-37(41)28-33-46(51)53(47)44-20-10-12-22-48(44)55(38-15-4-3-5-16-38)49-23-13-11-21-45(49)53/h7-45H,1-6H3;4-11,13,15-35H,12,14H2,1-3H3;3-34H,1-2H3
• InChIKey: ORBOYCAAYSAGCP-UHFFFAOYSA-N
• XLogP: 49.15
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2444.12
LogP ≤ 5	49.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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 165044497) is 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(F)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32C3=CCCC=C3N(c3ccccc3)c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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 ORBOYCAAYSAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H57F2N3.C55H43FN2.C53H38N2/c1-69(2,3)46-28-36-51(37-29-46)74(53-40-32-48(72)33-41-53)65-44-61-67(57-22-12-10-20-55(57)65)68-58-23-13-11-21-56(58)66(75(54-42-34-49(73)35-43-54)52-38-30-47(31-39-52)70(4,5)6)45-62(68)71(61)59-24-14-16-26-63(59)76(50-18-8-7-9-19-50)64-27-17-15-25-60(64)71;1-54(2,3)37-26-30-40(31-27-37)57(41-32-28-38(56)29-33-41)51-35-48-53(44-20-10-9-19-43(44)51)52-42-18-8-7-15-36(42)25-34-47(52)55(48)45-21-11-13-23-49(45)58(39-16-5-4-6-17-39)50-24-14-12-22-46(50)55;1-35-24-29-39(30-25-35)54(40-31-26-36(2)27-32-40)50-34-47-52(43-19-9-8-18-42(43)50)51-41-17-7-6-14-37(41)28-33-46(51)53(47)44-20-10-12-22-48(44)55(38-15-4-3-5-16-38)49-23-13-11-21-45(49)53/h7-45H,1-6H3;4-11,13,15-35H,12,14H2,1-3H3;3-34H,1-2H3.

What are the key properties of 9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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 2444.12 g/mol, XLogP of 49.15, 15 rotatable bonds, 0 hydrogen bond donors, and 7 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(4-fluorophenyl)-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;N,N-bis(4-methylphenyl)-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'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-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 165044497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).