4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile

C474H330F4N30O3 — CID 158605836

About 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile

4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile (PubChem CID 158605836) has the molecular formula C474H330F4N30O3 and a molecular weight of 6580.11 g/mol. Its IUPAC name is 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile.

Molecular Properties

• Compound Name: 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile
• PubChem CID: 158605836
• Molecular Formula: C474H330F4N30O3
• Molecular Weight: 6580.11 g/mol
• Exact Mass: 6574.72
• IUPAC Name: 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c3ccc3c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc(c35)n4-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc4c5c3ccc3c(N(c6ccc(-c7cccnc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc(c35)n4-c3ccccc3)cc21.COc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c4c2ccc2c(N(c5cccc(C)c5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc(c24)n3-c2ccccc2)c1.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c1ccc1c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc(c13)n2-c1ccccc1.Fc1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c(N(c5ccccc5)c5ccc(F)cc5)ccc(c24)n3-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2cccc3ccccc23)c2ccc3c4c2ccc2c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5cccc6ccccc56)ccc(c24)n3-c2ccccc2)c([2H])c1[2H].[C-]#[N+]c1ccc(N(c2ccc(OC)cc2)c2ccc3c4c2ccc2c(N(c5ccc(C#N)cc5)c5ccc(OC)cc5)ccc(c24)n3-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c(N(c5ccccc5)c5ccc(C#N)cc5)ccc(c24)n3-c2ccccc2)cc1
• InChI: InChI=1S/C74H55N3.C72H53N5.C70H51N3O.C68H45F2N3.C52H35N3.C48H33N5O2.C46H29N5.C44H29F2N3/c1-73(2)63-26-16-14-24-57(63)59-38-36-55(46-65(59)73)75(53-32-28-50(29-33-53)48-18-8-5-9-19-48)67-42-44-69-71-61(67)40-41-62-68(43-45-70(72(62)71)77(69)52-22-12-7-13-23-52)76(54-34-30-51(31-35-54)49-20-10-6-11-21-49)56-37-39-60-58-25-15-17-27-64(58)74(3,4)66(60)47-56;1-71(2)61-20-10-8-18-55(61)57-32-30-53(42-63(57)71)75(51-26-22-46(23-27-51)48-14-12-40-73-44-48)65-36-38-67-69-59(65)34-35-60-66(37-39-68(70(60)69)77(67)50-16-6-5-7-17-50)76(52-28-24-47(25-29-52)49-15-13-41-74-45-49)54-31-33-58-56-19-9-11-21-62(56)72(3,4)64(58)43-54;1-48-20-18-31-58(40-48)71(60-43-53(49-21-8-3-9-22-49)41-54(44-60)50-23-10-4-11-24-50)65-36-38-67-69-63(65)34-35-64-66(37-39-68(70(64)69)73(67)57-29-16-7-17-30-57)72(59-32-19-33-62(47-59)74-2)61-45-55(51-25-12-5-13-26-51)42-56(46-61)52-27-14-6-15-28-52;69-59-44-50(46-22-8-1-9-23-46)42-57(48-26-12-3-13-27-48)67(59)72(53-32-18-6-19-33-53)61-38-40-63-65-55(61)36-37-56-62(39-41-64(66(56)65)71(63)52-30-16-5-17-31-52)73(54-34-20-7-21-35-54)68-58(49-28-14-4-15-29-49)43-51(45-60(68)70)47-24-10-2-11-25-47;1-4-20-38(21-5-1)53(45-28-14-18-36-16-10-12-26-41(36)45)47-32-34-49-51-43(47)30-31-44-48(33-35-50(52(44)51)55(49)40-24-8-3-9-25-40)54(39-22-6-2-7-23-39)46-29-15-19-37-17-11-13-27-42(37)46;1-50-33-11-15-36(16-12-33)52(38-19-23-40(55-3)24-20-38)44-28-30-46-48-42(44)26-25-41-43(27-29-45(47(41)48)53(46)34-7-5-4-6-8-34)51(35-13-9-32(31-49)10-14-35)37-17-21-39(54-2)22-18-37;1-48-33-19-23-38(24-20-33)50(35-13-7-3-8-14-35)42-28-30-44-46-40(42)26-25-39-41(27-29-43(45(39)46)51(44)36-15-9-4-10-16-36)49(34-11-5-2-6-12-34)37-21-17-32(31-47)18-22-37;45-30-16-20-35(21-17-30)47(32-10-4-1-5-11-32)39-26-28-41-43-37(39)24-25-38-40(27-29-42(44(38)43)49(41)34-14-8-3-9-15-34)48(33-12-6-2-7-13-33)36-22-18-31(46)19-23-36/h5-47H,1-4H3;5-45H,1-4H3;3-47H,1-2H3;1-45H;1-35H;4-30H,2-3H3;2-30H;1-29H/i;;;;1D,2D,4D,5D,6D,7D,20D,21D,22D,23D
• InChIKey: HWFCVPSPMCNDTI-DAFQQORJSA-N
• XLogP: 130.58
• TPSA: 201.05 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 71
• Heavy Atoms: 511
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6580.11
LogP ≤ 5	130.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile?

The IUPAC name of 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile (CID 158605836) is 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile.

What is the SMILES notation for 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile?

The canonical SMILES for 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c3ccc3c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc(c35)n4-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc4c5c3ccc3c(N(c6ccc(-c7cccnc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc(c35)n4-c3ccccc3)cc21.COc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3c4c2ccc2c(N(c5cccc(C)c5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc(c24)n3-c2ccccc2)c1.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c3c1ccc1c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc(c13)n2-c1ccccc1.Fc1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c(N(c5ccccc5)c5ccc(F)cc5)ccc(c24)n3-c2ccccc2)cc1.[2H]c1c([2H])c([2H])c(N(c2cccc3ccccc23)c2ccc3c4c2ccc2c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5cccc6ccccc56)ccc(c24)n3-c2ccccc2)c([2H])c1[2H].[C-]#[N+]c1ccc(N(c2ccc(OC)cc2)c2ccc3c4c2ccc2c(N(c5ccc(C#N)cc5)c5ccc(OC)cc5)ccc(c24)n3-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c(N(c5ccccc5)c5ccc(C#N)cc5)ccc(c24)n3-c2ccccc2)cc1.

What is the InChIKey of 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile?

The InChIKey is HWFCVPSPMCNDTI-DAFQQORJSA-N. The full InChI is InChI=1S/C74H55N3.C72H53N5.C70H51N3O.C68H45F2N3.C52H35N3.C48H33N5O2.C46H29N5.C44H29F2N3/c1-73(2)63-26-16-14-24-57(63)59-38-36-55(46-65(59)73)75(53-32-28-50(29-33-53)48-18-8-5-9-19-48)67-42-44-69-71-61(67)40-41-62-68(43-45-70(72(62)71)77(69)52-22-12-7-13-23-52)76(54-34-30-51(31-35-54)49-20-10-6-11-21-49)56-37-39-60-58-25-15-17-27-64(58)74(3,4)66(60)47-56;1-71(2)61-20-10-8-18-55(61)57-32-30-53(42-63(57)71)75(51-26-22-46(23-27-51)48-14-12-40-73-44-48)65-36-38-67-69-59(65)34-35-60-66(37-39-68(70(60)69)77(67)50-16-6-5-7-17-50)76(52-28-24-47(25-29-52)49-15-13-41-74-45-49)54-31-33-58-56-19-9-11-21-62(56)72(3,4)64(58)43-54;1-48-20-18-31-58(40-48)71(60-43-53(49-21-8-3-9-22-49)41-54(44-60)50-23-10-4-11-24-50)65-36-38-67-69-63(65)34-35-64-66(37-39-68(70(64)69)73(67)57-29-16-7-17-30-57)72(59-32-19-33-62(47-59)74-2)61-45-55(51-25-12-5-13-26-51)42-56(46-61)52-27-14-6-15-28-52;69-59-44-50(46-22-8-1-9-23-46)42-57(48-26-12-3-13-27-48)67(59)72(53-32-18-6-19-33-53)61-38-40-63-65-55(61)36-37-56-62(39-41-64(66(56)65)71(63)52-30-16-5-17-31-52)73(54-34-20-7-21-35-54)68-58(49-28-14-4-15-29-49)43-51(45-60(68)70)47-24-10-2-11-25-47;1-4-20-38(21-5-1)53(45-28-14-18-36-16-10-12-26-41(36)45)47-32-34-49-51-43(47)30-31-44-48(33-35-50(52(44)51)55(49)40-24-8-3-9-25-40)54(39-22-6-2-7-23-39)46-29-15-19-37-17-11-13-27-42(37)46;1-50-33-11-15-36(16-12-33)52(38-19-23-40(55-3)24-20-38)44-28-30-46-48-42(44)26-25-41-43(27-29-45(47(41)48)53(46)34-7-5-4-6-8-34)51(35-13-9-32(31-49)10-14-35)37-17-21-39(54-2)22-18-37;1-48-33-19-23-38(24-20-33)50(35-13-7-3-8-14-35)42-28-30-44-46-40(42)26-25-39-41(27-29-43(45(39)46)51(44)36-15-9-4-10-16-36)49(34-11-5-2-6-12-34)37-21-17-32(31-47)18-22-37;45-30-16-20-35(21-17-30)47(32-10-4-1-5-11-32)39-26-28-41-43-37(39)24-25-38-40(27-29-42(44(38)43)49(41)34-14-8-3-9-15-34)48(33-12-6-2-7-13-33)36-22-18-31(46)19-23-36/h5-47H,1-4H3;5-45H,1-4H3;3-47H,1-2H3;1-45H;1-35H;4-30H,2-3H3;2-30H;1-29H/i;;;;1D,2D,4D,5D,6D,7D,20D,21D,22D,23D;;;.

What are the key properties of 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile?

4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile has a molecular weight of 6580.11 g/mol, XLogP of 130.58, 71 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-15-phenyl-4-N,9-N-bis(4-pyridin-3-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(3,5-diphenylphenyl)-4-N-(3-methoxyphenyl)-9-N-(3-methylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-bis(4-fluorophenyl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N-bis(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-(N-[9-(4-isocyano-N-(4-methoxyphenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]-4-methoxyanilino)benzonitrile;4-(N-[9-(N-(4-isocyanophenyl)anilino)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-4-yl]anilino)benzonitrile is sourced from PubChem (CID 158605836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).