7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine

C199H128F3N9 — CID 158808860

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine (PubChem CID 158808860) has the molecular formula C199H128F3N9 and a molecular weight of 2702.27 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine.

Molecular Properties

• Compound Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
• PubChem CID: 158808860
• Molecular Formula: C199H128F3N9
• Molecular Weight: 2702.27 g/mol
• Exact Mass: 2700.02
• IUPAC Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
• SMILES: CC1(C)c2cc(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1
• InChI: InChI=1S/C57H40N2.C56H34N2.C43H27F3N2.C43H27N3/c1-57(2)52-34-41(42-25-32-49-51-18-11-17-50-48-16-9-10-19-54(48)59(56(50)51)55(49)35-42)24-31-46(52)47-33-30-45(36-53(47)57)58(43-26-20-39(21-27-43)37-12-5-3-6-13-37)44-28-22-40(23-29-44)38-14-7-4-8-15-38;1-2-10-35(11-3-1)36-22-26-39(27-23-36)57(41-30-31-44-51-20-9-19-50-43-14-4-5-21-52(43)58(56(50)51)53(44)34-41)40-28-24-37(25-29-40)42-32-33-49-47-16-7-13-38-12-6-15-46(54(38)47)48-18-8-17-45(42)55(48)49;44-43(45,46)32-19-13-29(14-20-32)31-17-23-34(24-18-31)47(33-21-15-30(16-22-33)28-7-2-1-3-8-28)35-25-26-37-39-11-6-10-38-36-9-4-5-12-40(36)48(42(38)39)41(37)27-35;44-28-29-13-15-31(16-14-29)33-19-23-35(24-20-33)45(34-21-17-32(18-22-34)30-7-2-1-3-8-30)36-25-26-38-40-11-6-10-39-37-9-4-5-12-41(37)46(43(39)40)42(38)27-36/h3-36H,1-2H3;1-34H;1-27H;1-27H
• InChIKey: IUKPPMCAHYTLJR-UHFFFAOYSA-N
• XLogP: 55.48
• TPSA: 54.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2702.27
LogP ≤ 5	55.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine?

The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine (CID 158808860) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine.

What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine?

The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine is CC1(C)c2cc(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)cc1.

What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine?

The InChIKey is IUKPPMCAHYTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2.C56H34N2.C43H27F3N2.C43H27N3/c1-57(2)52-34-41(42-25-32-49-51-18-11-17-50-48-16-9-10-19-54(48)59(56(50)51)55(49)35-42)24-31-46(52)47-33-30-45(36-53(47)57)58(43-26-20-39(21-27-43)37-12-5-3-6-13-37)44-28-22-40(23-29-44)38-14-7-4-8-15-38;1-2-10-35(11-3-1)36-22-26-39(27-23-36)57(41-30-31-44-51-20-9-19-50-43-14-4-5-21-52(43)58(56(50)51)53(44)34-41)40-28-24-37(25-29-40)42-32-33-49-47-16-7-13-38-12-6-15-46(54(38)47)48-18-8-17-45(42)55(48)49;44-43(45,46)32-19-13-29(14-20-32)31-17-23-34(24-18-31)47(33-21-15-30(16-22-33)28-7-2-1-3-8-28)35-25-26-37-39-11-6-10-38-36-9-4-5-12-40(36)48(42(38)39)41(37)27-35;44-28-29-13-15-31(16-14-29)33-19-23-35(24-20-33)45(34-21-17-32(18-22-34)30-7-2-1-3-8-30)36-25-26-38-40-11-6-10-39-37-9-4-5-12-41(37)46(43(39)40)42(38)27-36/h3-36H,1-2H3;1-34H;1-27H;1-27H.

What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine?

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine has a molecular weight of 2702.27 g/mol, XLogP of 55.48, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-4-phenylanilino]phenyl]benzonitrile;N-(4-perylen-3-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine is sourced from PubChem (CID 158808860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).