N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C213H142N8O8 — CID 159413371

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 159413371) has the molecular formula C213H142N8O8 and a molecular weight of 2941.53 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 159413371
• Molecular Formula: C213H142N8O8
• Molecular Weight: 2941.53 g/mol
• Exact Mass: 2939.10
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3N3c5ccccc5Oc5cccc(c53)O4)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3N4c3ccccc3O5)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)N3c5ccccc5Oc5cccc(c53)O4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3N4c3ccccc3O5)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C58H38N2O2.2C55H36N2O2.C45H32N2O2/c1-57(2)41-20-7-6-19-40(41)54-45(57)24-13-26-48(54)59(49-27-14-29-51-55(49)60-47-25-11-12-28-50(47)61-52-30-15-31-53(62-51)56(52)60)35-32-33-39-38-18-5-10-23-44(38)58(46(39)34-35)42-21-8-3-16-36(42)37-17-4-9-22-43(37)58;1-4-15-37(16-5-1)38-27-29-41(30-28-38)56(43-32-34-51-49(36-43)57-48-23-12-13-24-50(48)58-52-25-14-26-53(59-51)54(52)57)42-31-33-45-44-21-10-11-22-46(44)55(47(45)35-42,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-4-15-37(16-5-1)38-27-29-41(30-28-38)56(43-32-34-49-53(36-43)59-52-26-14-25-51-54(52)57(49)48-23-12-13-24-50(48)58-51)42-31-33-45-44-21-10-11-22-46(44)55(47(45)35-42,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-45(2)35-17-8-6-16-33(35)34-25-23-30(27-36(34)45)46(37-18-9-7-15-32(37)29-13-4-3-5-14-29)31-24-26-39-43(28-31)49-42-22-12-21-41-44(42)47(39)38-19-10-11-20-40(38)48-41/h3-34H,1-2H3;2*1-36H;3-28H,1-2H3
• InChIKey: LOVYGCRNCUIXER-UHFFFAOYSA-N
• XLogP: 58.03
• TPSA: 99.76 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2941.53
LogP ≤ 5	58.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 159413371) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3N3c5ccccc5Oc5cccc(c53)O4)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3N4c3ccccc3O5)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)N3c5ccccc5Oc5cccc(c53)O4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3N4c3ccccc3O5)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is LOVYGCRNCUIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2.2C55H36N2O2.C45H32N2O2/c1-57(2)41-20-7-6-19-40(41)54-45(57)24-13-26-48(54)59(49-27-14-29-51-55(49)60-47-25-11-12-28-50(47)61-52-30-15-31-53(62-51)56(52)60)35-32-33-39-38-18-5-10-23-44(38)58(46(39)34-35)42-21-8-3-16-36(42)37-17-4-9-22-43(37)58;1-4-15-37(16-5-1)38-27-29-41(30-28-38)56(43-32-34-51-49(36-43)57-48-23-12-13-24-50(48)58-52-25-14-26-53(59-51)54(52)57)42-31-33-45-44-21-10-11-22-46(44)55(47(45)35-42,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-4-15-37(16-5-1)38-27-29-41(30-28-38)56(43-32-34-49-53(36-43)59-52-26-14-25-51-54(52)57(49)48-23-12-13-24-50(48)58-51)42-31-33-45-44-21-10-11-22-46(44)55(47(45)35-42,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-45(2)35-17-8-6-16-33(35)34-25-23-30(27-36(34)45)46(37-18-9-7-15-32(37)29-13-4-3-5-14-29)31-24-26-39-43(28-31)49-42-22-12-21-41-44(42)47(39)38-19-10-11-20-40(38)48-41/h3-34H,1-2H3;2*1-36H;3-28H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 2941.53 g/mol, XLogP of 58.03, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 159413371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).