9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine

C196H127N7O4 — CID 165089349

About 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine

9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine (PubChem CID 165089349) has the molecular formula C196H127N7O4 and a molecular weight of 2644.22 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine
• PubChem CID: 165089349
• Molecular Formula: C196H127N7O4
• Molecular Weight: 2644.22 g/mol
• Exact Mass: 2641.99
• IUPAC Name: 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine
• SMILES: Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C)cccc23)c(C)c1.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12.Cc1ccccc1N(c1cc2c(c3ccccc13)-c1c(ccc3ccccc13)C21c2ccccc2-n2c3ccccc3c3cccc1c32)c1cccc2c1oc1c(C)cccc12
• InChI: InChI=1S/C77H49N3O2.C60H40N2O.C59H38N2O/c1-46-22-17-34-56-58-36-20-42-66(75(58)81-73(46)56)78(48-24-5-3-6-25-48)68-44-62-70(53-31-11-9-28-50(53)68)71-54-32-12-10-29-51(54)69(79(49-26-7-4-8-27-49)67-43-21-37-59-57-35-18-23-47(2)74(57)82-76(59)67)45-63(71)77(62)60-38-14-16-41-65(60)80-64-40-15-13-30-52(64)55-33-19-39-61(77)72(55)80;1-35-29-32-50(37(3)33-35)61(53-28-14-23-45-44-22-12-15-36(2)58(44)63-59(45)53)54-34-49-56(42-20-7-6-18-40(42)54)55-39-17-5-4-16-38(39)30-31-47(55)60(49)46-24-9-11-27-52(46)62-51-26-10-8-19-41(51)43-21-13-25-48(60)57(43)62;1-35-16-3-10-28-49(35)60(52-31-15-25-44-43-24-13-17-36(2)57(43)62-58(44)52)53-34-48-55(41-22-7-6-20-39(41)53)54-38-19-5-4-18-37(38)32-33-46(54)59(48)45-26-9-12-30-51(45)61-50-29-11-8-21-40(50)42-23-14-27-47(59)56(42)61/h3-45H,1-2H3;4-34H,1-3H3;3-34H,1-2H3
• InChIKey: WLAZWJDQGNGLKP-UHFFFAOYSA-N
• XLogP: 52.94
• TPSA: 80.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2644.22
LogP ≤ 5	52.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine?

The IUPAC name of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine (CID 165089349) is 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine.

What is the SMILES notation for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine?

The canonical SMILES for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine is Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(C)cccc23)c(C)c1.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cccc12.Cc1ccccc1N(c1cc2c(c3ccccc13)-c1c(ccc3ccccc13)C21c2ccccc2-n2c3ccccc3c3cccc1c32)c1cccc2c1oc1c(C)cccc12.

What is the InChIKey of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine?

The InChIKey is WLAZWJDQGNGLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N3O2.C60H40N2O.C59H38N2O/c1-46-22-17-34-56-58-36-20-42-66(75(58)81-73(46)56)78(48-24-5-3-6-25-48)68-44-62-70(53-31-11-9-28-50(53)68)71-54-32-12-10-29-51(54)69(79(49-26-7-4-8-27-49)67-43-21-37-59-57-35-18-23-47(2)74(57)82-76(59)67)45-63(71)77(62)60-38-14-16-41-65(60)80-64-40-15-13-30-52(64)55-33-19-39-61(77)72(55)80;1-35-29-32-50(37(3)33-35)61(53-28-14-23-45-44-22-12-15-36(2)58(44)63-59(45)53)54-34-49-56(42-20-7-6-18-40(42)54)55-39-17-5-4-16-38(39)30-31-47(55)60(49)46-24-9-11-27-52(46)62-51-26-10-8-19-41(51)43-21-13-25-48(60)57(43)62;1-35-16-3-10-28-49(35)60(52-31-15-25-44-43-24-13-17-36(2)57(43)62-58(44)52)53-34-48-55(41-22-7-6-20-39(41)53)54-38-19-5-4-18-37(38)32-33-46(54)59(48)45-26-9-12-30-51(45)61-50-29-11-8-21-40(50)42-23-14-27-47(59)56(42)61/h3-45H,1-2H3;4-34H,1-3H3;3-34H,1-2H3.

What are the key properties of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine?

9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine has a molecular weight of 2644.22 g/mol, XLogP of 52.94, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9',15'-diamine;N-(2,4-dimethylphenyl)-N-(6-methyldibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine;N-(6-methyldibenzofuran-4-yl)-N-(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(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]-9'-amine is sourced from PubChem (CID 165089349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).