N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C211H133N9OS — CID 161079248

About N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 161079248) has the molecular formula C211H133N9OS and a molecular weight of 2842.51 g/mol. Its IUPAC name is N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 161079248
• Molecular Formula: C211H133N9OS
• Molecular Weight: 2842.51 g/mol
• Exact Mass: 2840.04
• IUPAC Name: N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C61H38N2.C54H35N3.C48H30N2O.C48H30N2S/c1-2-14-39(15-3-1)40-28-31-43(32-29-40)62(44-17-12-16-41(36-44)42-30-35-59-53(37-42)52-23-13-22-51-50-21-7-11-27-58(50)63(59)60(51)52)45-33-34-49-48-20-6-10-26-56(48)61(57(49)38-45)54-24-8-4-18-46(54)47-19-5-9-25-55(47)61;1-3-13-36(14-4-1)37-25-28-41(29-26-37)55(43-30-32-52-49(35-43)45-20-8-9-23-50(45)56(52)40-16-5-2-6-17-40)42-18-11-15-38(33-42)39-27-31-53-48(34-39)47-22-12-21-46-44-19-7-10-24-51(44)57(53)54(46)47;1-2-10-31(11-3-1)32-20-23-35(24-21-32)49(37-25-27-47-43(30-37)39-15-5-7-19-46(39)51-47)36-13-8-12-33(28-36)34-22-26-45-42(29-34)41-17-9-16-40-38-14-4-6-18-44(38)50(45)48(40)41;1-2-10-31(11-3-1)32-20-23-35(24-21-32)49(37-25-26-40-39-15-5-7-19-46(39)51-47(40)30-37)36-13-8-12-33(28-36)34-22-27-45-43(29-34)42-17-9-16-41-38-14-4-6-18-44(38)50(45)48(41)42/h1-38H;1-35H;2*1-30H
• InChIKey: UFRPHXQPXPMPQS-UHFFFAOYSA-N
• XLogP: 58.27
• TPSA: 48.67 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2842.51
LogP ≤ 5	58.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 161079248) is N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is UFRPHXQPXPMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2.C54H35N3.C48H30N2O.C48H30N2S/c1-2-14-39(15-3-1)40-28-31-43(32-29-40)62(44-17-12-16-41(36-44)42-30-35-59-53(37-42)52-23-13-22-51-50-21-7-11-27-58(50)63(59)60(51)52)45-33-34-49-48-20-6-10-26-56(48)61(57(49)38-45)54-24-8-4-18-46(54)47-19-5-9-25-55(47)61;1-3-13-36(14-4-1)37-25-28-41(29-26-37)55(43-30-32-52-49(35-43)45-20-8-9-23-50(45)56(52)40-16-5-2-6-17-40)42-18-11-15-38(33-42)39-27-31-53-48(34-39)47-22-12-21-46-44-19-7-10-24-51(44)57(53)54(46)47;1-2-10-31(11-3-1)32-20-23-35(24-21-32)49(37-25-27-47-43(30-37)39-15-5-7-19-46(39)51-47)36-13-8-12-33(28-36)34-22-26-45-42(29-34)41-17-9-16-40-38-14-4-6-18-44(38)50(45)48(40)41;1-2-10-31(11-3-1)32-20-23-35(24-21-32)49(37-25-26-40-39-15-5-7-19-46(39)51-47(40)30-37)36-13-8-12-33(28-36)34-22-27-45-43(29-34)42-17-9-16-41-38-14-4-6-18-44(38)50(45)48(41)42/h1-38H;1-35H;2*1-30H.

What are the key properties of N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2842.51 g/mol, XLogP of 58.27, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 161079248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).