2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile

C272H212F4N12Si4 — CID 159300484

IUPAC2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile
SMILESC[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5ccc([Si](C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.C[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4ccc([Si](C)(C)C)cc4)ccc2-3)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C71H54N4.C69H52N4.C67H54F2N2Si2.C65H52F2N2Si2/c1-69(2,3)46-22-30-50(31-23-46)74(49-28-20-45(44-72)21-29-49)53-36-38-60-61-39-37-54(75(52-34-26-48(73-7)27-35-52)51-32-24-47(25-33-51)70(4,5)6)41-67(61)71(66(60)40-53)65-19-13-12-18-59(65)64-42-62-57-16-10-8-14-55(57)56-15-9-11-17-58(56)63(62)43-68(64)71;1-67(2,3)44-21-29-48(30-22-44)72(47-27-19-43(42-70)20-28-47)51-35-37-55-56-38-36-52(73(50-33-25-46(71-7)26-34-50)49-31-23-45(24-32-49)68(4,5)6)40-63(56)69(62(55)39-51)61-18-11-10-15-58(61)66-59-17-12-16-57-53-13-8-9-14-54(53)60(65(57)59)41-64(66)69;1-72(2,3)51-33-27-47(28-34-51)70(45-23-19-43(68)20-24-45)49-31-37-58-59-38-32-50(71(46-25-21-44(69)22-26-46)48-29-35-52(36-30-48)73(4,5)6)40-65(59)67(64(58)39-49)63-18-12-11-17-57(63)62-41-60-55-15-9-7-13-53(55)54-14-8-10-16-56(54)61(60)42-66(62)67;1-70(2,3)49-32-26-45(27-33-49)68(43-22-18-41(66)19-23-43)47-30-36-53-54-37-31-48(69(44-24-20-42(67)21-25-44)46-28-34-50(35-29-46)71(4,5)6)39-61(54)65(60(53)38-47)59-17-10-9-14-56(59)64-57-16-11-15-55-51-12-7-8-13-52(51)58(63(55)57)40-62(64)65/h8-43H,1-6H3;8-41H,1-6H3;7-42H,1-6H3;7-40H,1-6H3
InChIKeyLBGPASHSIITBDH-UHFFFAOYSA-N
MW3837.11 g/mol
LogP73.17
Rot. Bonds28

About 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile

2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile (PubChem CID 159300484) has the molecular formula C272H212F4N12Si4 and a molecular weight of 3837.11 g/mol. Its IUPAC name is 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile.

Molecular Properties

Compound Name2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile
PubChem CID159300484
Molecular FormulaC272H212F4N12Si4
Molecular Weight3837.11 g/mol
Exact Mass3833.60
IUPAC Name2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile
SMILESC[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5ccc([Si](C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.C[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4ccc([Si](C)(C)C)cc4)ccc2-3)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C71H54N4.C69H52N4.C67H54F2N2Si2.C65H52F2N2Si2/c1-69(2,3)46-22-30-50(31-23-46)74(49-28-20-45(44-72)21-29-49)53-36-38-60-61-39-37-54(75(52-34-26-48(73-7)27-35-52)51-32-24-47(25-33-51)70(4,5)6)41-67(61)71(66(60)40-53)65-19-13-12-18-59(65)64-42-62-57-16-10-8-14-55(57)56-15-9-11-17-58(56)63(62)43-68(64)71;1-67(2,3)44-21-29-48(30-22-44)72(47-27-19-43(42-70)20-28-47)51-35-37-55-56-38-36-52(73(50-33-25-46(71-7)26-34-50)49-31-23-45(24-32-49)68(4,5)6)40-63(56)69(62(55)39-51)61-18-11-10-15-58(61)66-59-17-12-16-57-53-13-8-9-14-54(53)60(65(57)59)41-64(66)69;1-72(2,3)51-33-27-47(28-34-51)70(45-23-19-43(68)20-24-45)49-31-37-58-59-38-32-50(71(46-25-21-44(69)22-26-46)48-29-35-52(36-30-48)73(4,5)6)40-65(59)67(64(58)39-49)63-18-12-11-17-57(63)62-41-60-55-15-9-7-13-53(55)54-14-8-10-16-56(54)61(60)42-66(62)67;1-70(2,3)49-32-26-45(27-33-49)68(43-22-18-41(66)19-23-43)47-30-36-53-54-37-31-48(69(44-24-20-42(67)21-25-44)46-28-34-50(35-29-46)71(4,5)6)39-61(54)65(60(53)38-47)59-17-10-9-14-56(59)64-57-16-11-15-55-51-12-7-8-13-52(51)58(63(55)57)40-62(64)65/h8-43H,1-6H3;8-41H,1-6H3;7-42H,1-6H3;7-40H,1-6H3
InChIKeyLBGPASHSIITBDH-UHFFFAOYSA-N
XLogP73.17
TPSA82.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms292
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003837.11
LogP ≤ 573.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile?
The IUPAC name of 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile (CID 159300484) is 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile.
What is the SMILES notation for 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile?
The canonical SMILES for 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile is C[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(F)cc5)c5ccc([Si](C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.C[Si](C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(F)cc4)c4ccc([Si](C)(C)C)cc4)ccc2-3)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5ccc(C(C)(C)C)cc5)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C#N)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile?
The InChIKey is LBGPASHSIITBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N4.C69H52N4.C67H54F2N2Si2.C65H52F2N2Si2/c1-69(2,3)46-22-30-50(31-23-46)74(49-28-20-45(44-72)21-29-49)53-36-38-60-61-39-37-54(75(52-34-26-48(73-7)27-35-52)51-32-24-47(25-33-51)70(4,5)6)41-67(61)71(66(60)40-53)65-19-13-12-18-59(65)64-42-62-57-16-10-8-14-55(57)56-15-9-11-17-58(56)63(62)43-68(64)71;1-67(2,3)44-21-29-48(30-22-44)72(47-27-19-43(42-70)20-28-47)51-35-37-55-56-38-36-52(73(50-33-25-46(71-7)26-34-50)49-31-23-45(24-32-49)68(4,5)6)40-63(56)69(62(55)39-51)61-18-11-10-15-58(61)66-59-17-12-16-57-53-13-8-9-14-54(53)60(65(57)59)41-64(66)69;1-72(2,3)51-33-27-47(28-34-51)70(45-23-19-43(68)20-24-45)49-31-37-58-59-38-32-50(71(46-25-21-44(69)22-26-46)48-29-35-52(36-30-48)73(4,5)6)40-65(59)67(64(58)39-49)63-18-12-11-17-57(63)62-41-60-55-15-9-7-13-53(55)54-14-8-10-16-56(54)61(60)42-66(62)67;1-70(2,3)49-32-26-45(27-33-49)68(43-22-18-41(66)19-23-43)47-30-36-53-54-37-31-48(69(44-24-20-42(67)21-25-44)46-28-34-50(35-29-46)71(4,5)6)39-61(54)65(60(53)38-47)59-17-10-9-14-56(59)64-57-16-11-15-55-51-12-7-8-13-52(51)58(63(55)57)40-62(64)65/h8-43H,1-6H3;8-41H,1-6H3;7-42H,1-6H3;7-40H,1-6H3.
What are the key properties of 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile?
2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile has a molecular weight of 3837.11 g/mol, XLogP of 73.17, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine;2-N,7-N-bis(4-fluorophenyl)-2-N,7-N-bis(4-trimethylsilylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl]anilino)benzonitrile;4-(4-tert-butyl-N-[7-(4-tert-butyl-N-(4-isocyanophenyl)anilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]anilino)benzonitrile is sourced from PubChem (CID 159300484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).