N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

C460H305N17OS — CID 157122413

About N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 157122413) has the molecular formula C460H305N17OS and a molecular weight of 6118.69 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
• PubChem CID: 157122413
• Molecular Formula: C460H305N17OS
• Molecular Weight: 6118.69 g/mol
• Exact Mass: 6113.41
• IUPAC Name: N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2c3c4ccccc4c4ccccc4c3n3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc23)cc1.c1ccc(-c2c3c4ccccc4c4ccccc4c3n3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5sc5ccccc56)cc4)c23)cc1.c1ccc(-c2c3c4ccccc4c4ccccc4c3n3cccc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccccc6c5)cc4)c23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccn5c4c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccn5c(c4)c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccncc3)c3cccc(-c4ccn5c(c4)c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccn6c(c5)c(-c5ccccc5)c5c7ccccc7c7ccccc7c56)cc4)c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccn6c(c5)c(-c5ccccc5)c5c7ccccc7c7ccccc7c56)cc4)c3)cc2)cc1
• InChI: InChI=1S/C67H44N2.C62H42N2.C60H38N2O.C60H38N2S.2C56H38N2.C50H34N2.C49H33N3/c1-4-20-47(21-5-1)63-64-59-30-14-12-27-55(59)56-28-13-15-31-60(56)66(64)68-42-18-32-54(65(63)68)46-35-37-51(38-36-46)69(52-39-34-45-19-10-11-22-48(45)43-52)53-40-41-58-57-29-16-17-33-61(57)67(62(58)44-53,49-23-6-2-7-24-49)50-25-8-3-9-26-50;1-4-17-45(18-5-1)53-25-10-11-26-54(53)46-35-37-51(38-36-46)64(50-22-8-3-9-23-50)52-24-16-21-48(41-52)43-31-33-44(34-32-43)49-39-40-63-59(42-49)60(47-19-6-2-7-20-47)61-57-29-14-12-27-55(57)56-28-13-15-30-58(56)62(61)63;1-3-14-39(15-4-1)43-28-32-50-51-33-31-46(38-57(51)63-56(50)37-43)62(54-25-13-19-41-16-7-8-20-47(41)54)45-29-26-40(27-30-45)44-34-35-61-55(36-44)58(42-17-5-2-6-18-42)59-52-23-11-9-21-48(52)49-22-10-12-24-53(49)60(59)61;1-2-16-42(17-3-1)56-57-51-23-8-6-20-48(51)49-21-7-9-24-52(49)59(57)61-38-14-27-47(58(56)61)41-32-36-44(37-33-41)62(54-28-13-26-53-50-22-10-11-29-55(50)63-60(53)54)43-34-30-40(31-35-43)46-25-12-18-39-15-4-5-19-45(39)46;1-4-15-39(16-5-1)41-26-32-45(33-27-41)58(46-34-28-42(29-35-46)40-17-6-2-7-18-40)47-36-30-43(31-37-47)48-25-14-38-57-55(48)53(44-19-8-3-9-20-44)54-51-23-12-10-21-49(51)50-22-11-13-24-52(50)56(54)57;1-4-14-39(15-5-1)41-24-30-46(31-25-41)58(47-32-26-42(27-33-47)40-16-6-2-7-17-40)48-34-28-43(29-35-48)45-36-37-57-53(38-45)54(44-18-8-3-9-19-44)55-51-22-12-10-20-49(51)50-21-11-13-23-52(50)56(55)57;1-4-14-38(15-5-1)48-47-34-39(32-33-51(47)50-46-23-13-11-21-44(46)43-20-10-12-22-45(43)49(48)50)37-26-24-35(25-27-37)36-28-30-42(31-29-36)52(40-16-6-2-7-17-40)41-18-8-3-9-19-41;1-3-12-34(13-4-1)35-22-24-39(25-23-35)52(40-26-29-50-30-27-40)41-17-11-16-37(32-41)38-28-31-51-46(33-38)47(36-14-5-2-6-15-36)48-44-20-9-7-18-42(44)43-19-8-10-21-45(43)49(48)51/h1-44H;1-42H;2*1-38H;2*1-38H;1-34H;1-33H
• InChIKey: AICZSGQFZUCJKM-UHFFFAOYSA-N
• XLogP: 127.44
• TPSA: 87.23 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 53
• Heavy Atoms: 479
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6118.69
LogP ≤ 5	127.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (CID 157122413) is N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2c3c4ccccc4c4ccccc4c3n3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc23)cc1.c1ccc(-c2c3c4ccccc4c4ccccc4c3n3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5sc5ccccc56)cc4)c23)cc1.c1ccc(-c2c3c4ccccc4c4ccccc4c3n3cccc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccccc6c5)cc4)c23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccn5c4c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccn5c(c4)c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccncc3)c3cccc(-c4ccn5c(c4)c(-c4ccccc4)c4c6ccccc6c6ccccc6c45)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccn6c(c5)c(-c5ccccc5)c5c7ccccc7c7ccccc7c56)cc4)c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccn6c(c5)c(-c5ccccc5)c5c7ccccc7c7ccccc7c56)cc4)c3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?

The InChIKey is AICZSGQFZUCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2.C62H42N2.C60H38N2O.C60H38N2S.2C56H38N2.C50H34N2.C49H33N3/c1-4-20-47(21-5-1)63-64-59-30-14-12-27-55(59)56-28-13-15-31-60(56)66(64)68-42-18-32-54(65(63)68)46-35-37-51(38-36-46)69(52-39-34-45-19-10-11-22-48(45)43-52)53-40-41-58-57-29-16-17-33-61(57)67(62(58)44-53,49-23-6-2-7-24-49)50-25-8-3-9-26-50;1-4-17-45(18-5-1)53-25-10-11-26-54(53)46-35-37-51(38-36-46)64(50-22-8-3-9-23-50)52-24-16-21-48(41-52)43-31-33-44(34-32-43)49-39-40-63-59(42-49)60(47-19-6-2-7-20-47)61-57-29-14-12-27-55(57)56-28-13-15-30-58(56)62(61)63;1-3-14-39(15-4-1)43-28-32-50-51-33-31-46(38-57(51)63-56(50)37-43)62(54-25-13-19-41-16-7-8-20-47(41)54)45-29-26-40(27-30-45)44-34-35-61-55(36-44)58(42-17-5-2-6-18-42)59-52-23-11-9-21-48(52)49-22-10-12-24-53(49)60(59)61;1-2-16-42(17-3-1)56-57-51-23-8-6-20-48(51)49-21-7-9-24-52(49)59(57)61-38-14-27-47(58(56)61)41-32-36-44(37-33-41)62(54-28-13-26-53-50-22-10-11-29-55(50)63-60(53)54)43-34-30-40(31-35-43)46-25-12-18-39-15-4-5-19-45(39)46;1-4-15-39(16-5-1)41-26-32-45(33-27-41)58(46-34-28-42(29-35-46)40-17-6-2-7-18-40)47-36-30-43(31-37-47)48-25-14-38-57-55(48)53(44-19-8-3-9-20-44)54-51-23-12-10-21-49(51)50-22-11-13-24-52(50)56(54)57;1-4-14-39(15-5-1)41-24-30-46(31-25-41)58(47-32-26-42(27-33-47)40-16-6-2-7-17-40)48-34-28-43(29-35-48)45-36-37-57-53(38-45)54(44-18-8-3-9-19-44)55-51-22-12-10-20-49(51)50-21-11-13-23-52(50)56(55)57;1-4-14-38(15-5-1)48-47-34-39(32-33-51(47)50-46-23-13-11-21-44(46)43-20-10-12-22-45(43)49(48)50)37-26-24-35(25-27-37)36-28-30-42(31-29-36)52(40-16-6-2-7-17-40)41-18-8-3-9-19-41;1-3-12-34(13-4-1)35-22-24-39(25-23-35)52(40-26-29-50-30-27-40)41-17-11-16-37(32-41)38-28-31-51-46(33-38)47(36-14-5-2-6-15-36)48-44-20-9-7-18-42(44)43-19-8-10-21-45(43)49(48)51/h1-44H;1-42H;2*1-38H;2*1-38H;1-34H;1-33H.

What are the key properties of N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?

N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 6118.69 g/mol, XLogP of 127.44, 53 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]aniline;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]fluoren-2-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]dibenzothiophen-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaen-18-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 157122413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).