N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C482H318N16OS2 — CID 159483012

About N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 159483012) has the molecular formula C482H318N16OS2 and a molecular weight of 6414.09 g/mol. Its IUPAC name is N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
• PubChem CID: 159483012
• Molecular Formula: C482H318N16OS2
• Molecular Weight: 6414.09 g/mol
• Exact Mass: 6408.48
• IUPAC Name: N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2ccc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)c2)cc1.c1ccc(N(c2ccc(-c3cccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C66H46N2.2C63H40N2.C63H42N2.C59H40N2O.2C56H36N2S.C56H38N2/c1-65(2)59-40-49(32-35-53(59)54-36-34-51(41-60(54)65)68-62-31-17-21-43-20-16-29-56(64(43)62)57-38-44-18-12-13-19-45(44)39-63(57)68)67(48-26-10-5-11-27-48)50-33-37-55-52-28-14-15-30-58(52)66(61(55)42-50,46-22-6-3-7-23-46)47-24-8-4-9-25-47;1-2-20-46(21-3-1)64(49-35-36-53-52-25-8-11-29-58(52)63(59(53)40-49)56-27-9-6-23-50(56)51-24-7-10-28-57(51)63)47-33-31-41(32-34-47)43-19-12-22-48(37-43)65-60-30-14-18-42-17-13-26-54(62(42)60)55-38-44-15-4-5-16-45(44)39-61(55)65;1-2-18-46(19-3-1)64(49-36-37-53-52-22-8-11-26-58(52)63(59(53)40-49)56-24-9-6-20-50(56)51-21-7-10-25-57(51)63)47-32-28-41(29-33-47)42-30-34-48(35-31-42)65-60-27-13-17-43-16-12-23-54(62(43)60)55-38-44-14-4-5-15-45(44)39-61(55)65;1-4-22-48(23-5-1)63(49-24-6-2-7-25-49)58-31-13-12-29-54(58)55-38-37-53(42-59(55)63)64(50-26-8-3-9-27-50)52-28-14-21-45(39-52)43-33-35-51(36-34-43)65-60-32-16-20-44-19-15-30-56(62(44)60)57-40-46-17-10-11-18-47(46)41-61(57)65;1-59(2)52-35-44(60(42-20-10-19-39(31-42)37-13-4-3-5-14-37)43-27-30-57-51(34-43)48-21-8-9-24-56(48)62-57)25-28-46(52)47-29-26-45(36-53(47)59)61-54-23-12-18-38-17-11-22-49(58(38)54)50-32-40-15-6-7-16-41(40)33-55(50)61;1-2-16-44(17-3-1)57(45-28-23-38(24-29-45)43-27-32-55-51(35-43)48-19-6-7-22-54(48)59-55)47-18-8-15-40(33-47)37-25-30-46(31-26-37)58-52-21-10-14-39-13-9-20-49(56(39)52)50-34-41-11-4-5-12-42(41)36-53(50)58;1-2-14-44(15-3-1)57(46-29-24-39(25-30-46)43-26-33-55-51(35-43)48-16-6-7-19-54(48)59-55)45-27-20-37(21-28-45)38-22-31-47(32-23-38)58-52-18-9-13-40-12-8-17-49(56(40)52)50-34-41-10-4-5-11-42(41)36-53(50)58;1-3-12-39(13-4-1)41-24-30-48(31-25-41)57(49-32-26-42(27-33-49)40-14-5-2-6-15-40)50-34-28-43(29-35-50)45-20-9-21-51(36-45)58-54-23-11-19-44-18-10-22-52(56(44)54)53-37-46-16-7-8-17-47(46)38-55(53)58/h3-42H,1-2H3;2*1-40H;1-42H;3-36H,1-2H3;2*1-36H;1-38H
• InChIKey: LXFUGNSBKLMCGI-UHFFFAOYSA-N
• XLogP: 134.30
• TPSA: 64.98 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 47
• Heavy Atoms: 501
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6414.09
LogP ≤ 5	134.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The IUPAC name of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 159483012) is N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

What is the SMILES notation for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The canonical SMILES for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2ccc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)c2)cc1.c1ccc(N(c2ccc(-c3cccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3ccc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)cc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The InChIKey is LXFUGNSBKLMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2.2C63H40N2.C63H42N2.C59H40N2O.2C56H36N2S.C56H38N2/c1-65(2)59-40-49(32-35-53(59)54-36-34-51(41-60(54)65)68-62-31-17-21-43-20-16-29-56(64(43)62)57-38-44-18-12-13-19-45(44)39-63(57)68)67(48-26-10-5-11-27-48)50-33-37-55-52-28-14-15-30-58(52)66(61(55)42-50,46-22-6-3-7-23-46)47-24-8-4-9-25-47;1-2-20-46(21-3-1)64(49-35-36-53-52-25-8-11-29-58(52)63(59(53)40-49)56-27-9-6-23-50(56)51-24-7-10-28-57(51)63)47-33-31-41(32-34-47)43-19-12-22-48(37-43)65-60-30-14-18-42-17-13-26-54(62(42)60)55-38-44-15-4-5-16-45(44)39-61(55)65;1-2-18-46(19-3-1)64(49-36-37-53-52-22-8-11-26-58(52)63(59(53)40-49)56-24-9-6-20-50(56)51-21-7-10-25-57(51)63)47-32-28-41(29-33-47)42-30-34-48(35-31-42)65-60-27-13-17-43-16-12-23-54(62(43)60)55-38-44-14-4-5-15-45(44)39-61(55)65;1-4-22-48(23-5-1)63(49-24-6-2-7-25-49)58-31-13-12-29-54(58)55-38-37-53(42-59(55)63)64(50-26-8-3-9-27-50)52-28-14-21-45(39-52)43-33-35-51(36-34-43)65-60-32-16-20-44-19-15-30-56(62(44)60)57-40-46-17-10-11-18-47(46)41-61(57)65;1-59(2)52-35-44(60(42-20-10-19-39(31-42)37-13-4-3-5-14-37)43-27-30-57-51(34-43)48-21-8-9-24-56(48)62-57)25-28-46(52)47-29-26-45(36-53(47)59)61-54-23-12-18-38-17-11-22-49(58(38)54)50-32-40-15-6-7-16-41(40)33-55(50)61;1-2-16-44(17-3-1)57(45-28-23-38(24-29-45)43-27-32-55-51(35-43)48-19-6-7-22-54(48)59-55)47-18-8-15-40(33-47)37-25-30-46(31-26-37)58-52-21-10-14-39-13-9-20-49(56(39)52)50-34-41-11-4-5-12-42(41)36-53(50)58;1-2-14-44(15-3-1)57(46-29-24-39(25-30-46)43-26-33-55-51(35-43)48-16-6-7-19-54(48)59-55)45-27-20-37(21-28-45)38-22-31-47(32-23-38)58-52-18-9-13-40-12-8-17-49(56(40)52)50-34-41-10-4-5-11-42(41)36-53(50)58;1-3-12-39(13-4-1)41-24-30-48(31-25-41)57(49-32-26-42(27-33-49)40-14-5-2-6-15-40)50-34-28-43(29-35-50)45-20-9-21-51(36-45)58-54-23-11-19-44-18-10-22-52(56(44)54)53-37-46-16-7-8-17-47(46)38-55(53)58/h3-42H,1-2H3;2*1-40H;1-42H;3-36H,1-2H3;2*1-36H;1-38H.

What are the key properties of N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 6414.09 g/mol, XLogP of 134.30, 47 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-dimethylfluoren-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine;7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 159483012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).