N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C263H191FN8O2Si4 — CID 157485690

IUPACN-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3cccc5c3c-4cc3c4ccccc4c(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)cc53)cc21.C[Si]1(C)c2cc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23
InChIInChI=1S/C68H49FN2Si.C68H48N2OSi.C65H50N2Si.C62H44N2OSi/c1-72(2)65-34-20-33-58-62-44-59(48-35-37-53(38-36-48)70(50-25-12-5-13-26-50)51-27-14-6-15-28-51)55-31-18-19-32-56(55)61(62)45-63(67(58)65)57-40-39-54(43-66(57)72)71(52-29-16-7-17-30-52)68-60(47-23-10-4-11-24-47)41-49(42-64(68)69)46-21-8-3-9-22-46;1-72(2)65-35-19-30-56-60-43-58(46-36-38-49(39-37-46)69(47-22-8-4-9-23-47)48-24-10-5-11-25-48)52-27-12-13-28-53(52)59(60)44-61(67(56)65)55-41-40-50(42-66(55)72)70(62-32-16-14-26-51(62)45-20-6-3-7-21-45)63-33-18-31-57-54-29-15-17-34-64(54)71-68(57)63;1-65(2)60-29-17-16-27-52(60)53-37-35-48(39-61(53)65)67(46-23-12-7-13-24-46)49-36-38-54-59-42-57-51-26-15-14-25-50(51)56(41-58(57)55-28-18-30-62(64(55)59)68(3,4)63(54)40-49)43-31-33-47(34-32-43)66(44-19-8-5-9-20-44)45-21-10-6-11-22-45;1-66(2)60-28-16-26-52-55-39-53(41-29-31-45(32-30-41)63(42-17-6-3-7-18-42)43-19-8-4-9-20-43)48-23-12-13-24-49(48)54(55)40-57(62(52)60)51-35-33-47(38-61(51)66)64(44-21-10-5-11-22-44)46-34-36-59-56(37-46)50-25-14-15-27-58(50)65-59/h3-45H,1-2H3;3-44H,1-2H3;5-42H,1-4H3;3-40H,1-2H3
InChIKeyBWRNWCMXXQQHLE-UHFFFAOYSA-N
MW3626.82 g/mol
LogP69.47
Rot. Bonds31

About N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 157485690) has the molecular formula C263H191FN8O2Si4 and a molecular weight of 3626.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
PubChem CID157485690
Molecular FormulaC263H191FN8O2Si4
Molecular Weight3626.82 g/mol
Exact Mass3623.42
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3cccc5c3c-4cc3c4ccccc4c(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)cc53)cc21.C[Si]1(C)c2cc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23
InChIInChI=1S/C68H49FN2Si.C68H48N2OSi.C65H50N2Si.C62H44N2OSi/c1-72(2)65-34-20-33-58-62-44-59(48-35-37-53(38-36-48)70(50-25-12-5-13-26-50)51-27-14-6-15-28-51)55-31-18-19-32-56(55)61(62)45-63(67(58)65)57-40-39-54(43-66(57)72)71(52-29-16-7-17-30-52)68-60(47-23-10-4-11-24-47)41-49(42-64(68)69)46-21-8-3-9-22-46;1-72(2)65-35-19-30-56-60-43-58(46-36-38-49(39-37-46)69(47-22-8-4-9-23-47)48-24-10-5-11-25-48)52-27-12-13-28-53(52)59(60)44-61(67(56)65)55-41-40-50(42-66(55)72)70(62-32-16-14-26-51(62)45-20-6-3-7-21-45)63-33-18-31-57-54-29-15-17-34-64(54)71-68(57)63;1-65(2)60-29-17-16-27-52(60)53-37-35-48(39-61(53)65)67(46-23-12-7-13-24-46)49-36-38-54-59-42-57-51-26-15-14-25-50(51)56(41-58(57)55-28-18-30-62(64(55)59)68(3,4)63(54)40-49)43-31-33-47(34-32-43)66(44-19-8-5-9-20-44)45-21-10-6-11-22-45;1-66(2)60-28-16-26-52-55-39-53(41-29-31-45(32-30-41)63(42-17-6-3-7-18-42)43-19-8-4-9-20-43)48-23-12-13-24-49(48)54(55)40-57(62(52)60)51-35-33-47(38-61(51)66)64(44-21-10-5-11-22-44)46-34-36-59-56(37-46)50-25-14-15-27-58(50)65-59/h3-45H,1-2H3;3-44H,1-2H3;5-42H,1-4H3;3-40H,1-2H3
InChIKeyBWRNWCMXXQQHLE-UHFFFAOYSA-N
XLogP69.47
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms278
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003626.82
LogP ≤ 569.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 157485690) is N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3cccc5c3c-4cc3c4ccccc4c(-c4ccc(N(c6ccccc6)c6ccccc6)cc4)cc53)cc21.C[Si]1(C)c2cc(N(c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.C[Si]1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cccc1c23.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The InChIKey is BWRNWCMXXQQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49FN2Si.C68H48N2OSi.C65H50N2Si.C62H44N2OSi/c1-72(2)65-34-20-33-58-62-44-59(48-35-37-53(38-36-48)70(50-25-12-5-13-26-50)51-27-14-6-15-28-51)55-31-18-19-32-56(55)61(62)45-63(67(58)65)57-40-39-54(43-66(57)72)71(52-29-16-7-17-30-52)68-60(47-23-10-4-11-24-47)41-49(42-64(68)69)46-21-8-3-9-22-46;1-72(2)65-35-19-30-56-60-43-58(46-36-38-49(39-37-46)69(47-22-8-4-9-23-47)48-24-10-5-11-25-48)52-27-12-13-28-53(52)59(60)44-61(67(56)65)55-41-40-50(42-66(55)72)70(62-32-16-14-26-51(62)45-20-6-3-7-21-45)63-33-18-31-57-54-29-15-17-34-64(54)71-68(57)63;1-65(2)60-29-17-16-27-52(60)53-37-35-48(39-61(53)65)67(46-23-12-7-13-24-46)49-36-38-54-59-42-57-51-26-15-14-25-50(51)56(41-58(57)55-28-18-30-62(64(55)59)68(3,4)63(54)40-49)43-31-33-47(34-32-43)66(44-19-8-5-9-20-44)45-21-10-6-11-22-45;1-66(2)60-28-16-26-52-55-39-53(41-29-31-45(32-30-41)63(42-17-6-3-7-18-42)43-19-8-4-9-20-43)48-23-12-13-24-49(48)54(55)40-57(62(52)60)51-35-33-47(38-61(51)66)64(44-21-10-5-11-22-44)46-34-36-59-56(37-46)50-25-14-15-27-58(50)65-59/h3-45H,1-2H3;3-44H,1-2H3;5-42H,1-4H3;3-40H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 3626.82 g/mol, XLogP of 69.47, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-phenyldibenzofuran-2-amine;N-[20,20-dimethyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N-(2-phenylphenyl)dibenzofuran-4-amine;N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 157485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).