14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine

C280H281N9O3Si — CID 163878087

IUPAC14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1
InChIInChI=1S/C99H103N3O.C91H89N3O.C90H89N3OSi/c1-92(2,3)62-30-32-68(33-31-62)99(70-45-57-84-80(59-70)79-58-69(98(19,20)21)44-56-83(79)102(84)75-54-42-67(43-55-75)97(16,17)18)81-60-85(100(71-46-34-63(35-47-71)93(4,5)6)72-48-36-64(37-49-72)94(7,8)9)76-26-22-23-27-77(76)88(81)90-82(99)61-86(91-89(90)78-28-24-25-29-87(78)103-91)101(73-50-38-65(39-51-73)95(10,11)12)74-52-40-66(41-53-74)96(13,14)15;1-86(2,3)60-34-36-65(37-35-60)91(66-46-56-71(57-47-66)92(69-48-38-61(39-49-69)87(4,5)6)70-50-40-62(41-51-70)88(7,8)9)77-58-79(93(67-26-18-16-19-27-67)72-52-42-63(43-53-72)89(10,11)12)74-30-22-23-31-75(74)82(77)84-78(91)59-80(85-83(84)76-32-24-25-33-81(76)95-85)94(68-28-20-17-21-29-68)73-54-44-64(45-55-73)90(13,14)15;1-86(2,3)60-34-46-68(47-35-60)91(69-48-36-61(37-49-69)87(4,5)6)70-54-42-64(43-55-70)90(65-44-56-73(57-45-65)95(13,14)15)77-58-79(92(66-26-18-16-19-27-66)71-50-38-62(39-51-71)88(7,8)9)74-30-22-23-31-75(74)82(77)84-78(90)59-80(85-83(84)76-32-24-25-33-81(76)94-85)93(67-28-20-17-21-29-67)72-52-40-63(41-53-72)89(10,11)12/h22-61H,1-21H3;2*16-59H,1-15H3
InChIKeyPQRIERSTZMKTOM-UHFFFAOYSA-N
MW3848.47 g/mol
LogP79.47
Rot. Bonds32

About 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine

14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine (PubChem CID 163878087) has the molecular formula C280H281N9O3Si and a molecular weight of 3848.47 g/mol. Its IUPAC name is 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine.

Molecular Properties

Compound Name14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
PubChem CID163878087
Molecular FormulaC280H281N9O3Si
Molecular Weight3848.47 g/mol
Exact Mass3845.19
IUPAC Name14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1
InChIInChI=1S/C99H103N3O.C91H89N3O.C90H89N3OSi/c1-92(2,3)62-30-32-68(33-31-62)99(70-45-57-84-80(59-70)79-58-69(98(19,20)21)44-56-83(79)102(84)75-54-42-67(43-55-75)97(16,17)18)81-60-85(100(71-46-34-63(35-47-71)93(4,5)6)72-48-36-64(37-49-72)94(7,8)9)76-26-22-23-27-77(76)88(81)90-82(99)61-86(91-89(90)78-28-24-25-29-87(78)103-91)101(73-50-38-65(39-51-73)95(10,11)12)74-52-40-66(41-53-74)96(13,14)15;1-86(2,3)60-34-36-65(37-35-60)91(66-46-56-71(57-47-66)92(69-48-38-61(39-49-69)87(4,5)6)70-50-40-62(41-51-70)88(7,8)9)77-58-79(93(67-26-18-16-19-27-67)72-52-42-63(43-53-72)89(10,11)12)74-30-22-23-31-75(74)82(77)84-78(91)59-80(85-83(84)76-32-24-25-33-81(76)95-85)94(68-28-20-17-21-29-68)73-54-44-64(45-55-73)90(13,14)15;1-86(2,3)60-34-46-68(47-35-60)91(69-48-36-61(37-49-69)87(4,5)6)70-54-42-64(43-55-70)90(65-44-56-73(57-45-65)95(13,14)15)77-58-79(92(66-26-18-16-19-27-66)71-50-38-62(39-51-71)88(7,8)9)74-30-22-23-31-75(74)82(77)84-78(90)59-80(85-83(84)76-32-24-25-33-81(76)94-85)93(67-28-20-17-21-29-67)72-52-40-63(41-53-72)89(10,11)12/h22-61H,1-21H3;2*16-59H,1-15H3
InChIKeyPQRIERSTZMKTOM-UHFFFAOYSA-N
XLogP79.47
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003848.47
LogP ≤ 579.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine with MolForge

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Related Compounds

15-(4-tert-butylphenyl)-15-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-12-N,12-N,18-N,18-N-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163963037
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-diphenyl-12-N,18-N-bis(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,12-N,18-N,18-N-tetraphenyl-15-(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-15-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163446461
15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3-methylphenyl)-10-oxa-20-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 163817095
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine;9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine;9-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883037
15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3-methylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163856386
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-diphenyl-15-(4-triphenylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163807289
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 163491808
15-(8-tert-butyldibenzofuran-2-yl)-15-(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-diphenyl-15-(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-diphenyl-12-N,18-N-bis(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163620036
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 163780592
12-N,18-N,15-tris(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163806295
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
15-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-bis(3,4-dimethylphenyl)-26,26-dimethyl-4-oxa-26-silaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163472344

Frequently Asked Questions

What is the IUPAC name of 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The IUPAC name of 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine (CID 163878087) is 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine.
What is the SMILES notation for 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The canonical SMILES for 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)c5ccccc5c4-c4c3cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1.
What is the InChIKey of 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The InChIKey is PQRIERSTZMKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H103N3O.C91H89N3O.C90H89N3OSi/c1-92(2,3)62-30-32-68(33-31-62)99(70-45-57-84-80(59-70)79-58-69(98(19,20)21)44-56-83(79)102(84)75-54-42-67(43-55-75)97(16,17)18)81-60-85(100(71-46-34-63(35-47-71)93(4,5)6)72-48-36-64(37-49-72)94(7,8)9)76-26-22-23-27-77(76)88(81)90-82(99)61-86(91-89(90)78-28-24-25-29-87(78)103-91)101(73-50-38-65(39-51-73)95(10,11)12)74-52-40-66(41-53-74)96(13,14)15;1-86(2,3)60-34-36-65(37-35-60)91(66-46-56-71(57-47-66)92(69-48-38-61(39-49-69)87(4,5)6)70-50-40-62(41-51-70)88(7,8)9)77-58-79(93(67-26-18-16-19-27-67)72-52-42-63(43-53-72)89(10,11)12)74-30-22-23-31-75(74)82(77)84-78(91)59-80(85-83(84)76-32-24-25-33-81(76)95-85)94(68-28-20-17-21-29-68)73-54-44-64(45-55-73)90(13,14)15;1-86(2,3)60-34-46-68(47-35-60)91(69-48-36-61(37-49-69)87(4,5)6)70-54-42-64(43-55-70)90(65-44-56-73(57-45-65)95(13,14)15)77-58-79(92(66-26-18-16-19-27-66)71-50-38-62(39-51-71)88(7,8)9)74-30-22-23-31-75(74)82(77)84-78(90)59-80(85-83(84)76-32-24-25-33-81(76)94-85)93(67-28-20-17-21-29-67)72-52-40-63(41-53-72)89(10,11)12/h22-61H,1-21H3;2*16-59H,1-15H3.
What are the key properties of 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine has a molecular weight of 3848.47 g/mol, XLogP of 79.47, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine is sourced from PubChem (CID 163878087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).