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

C305H289N9O6Si — CID 163883037

IUPAC9-[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4c(c2)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccccc45)c4c(c2-3)-c2ccccc2C4(C)C)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C102H95N3O2.C102H97N3O2.C101H97N3O2Si/c1-96(2,3)62-36-38-66(39-37-62)102(68-47-57-85-80(59-68)79-58-67(100(13,14)15)46-56-84(79)104(85)70-50-42-64(43-51-70)98(7,8)9)82-60-72(103(69-48-40-63(41-49-69)97(4,5)6)86-32-24-29-75-73-26-19-22-34-89(73)106-94(75)86)54-55-78(82)91-83(102)61-88(93-92(91)77-28-18-21-31-81(77)101(93,16)17)105(71-52-44-65(45-53-71)99(10,11)12)87-33-25-30-76-74-27-20-23-35-90(74)107-95(76)87;1-96(2,3)64-36-38-69(39-37-64)102(70-48-58-73(59-49-70)103(71-50-40-65(41-51-71)97(4,5)6)72-52-42-66(43-53-72)98(7,8)9)84-62-76(104(74-54-44-67(45-55-74)99(10,11)12)86-32-24-29-79-77-26-19-22-34-89(77)106-94(79)86)60-61-82(84)91-85(102)63-88(93-92(91)81-28-18-21-31-83(81)101(93,16)17)105(75-56-46-68(47-57-75)100(13,14)15)87-33-25-30-80-78-27-20-23-35-90(78)107-95(80)87;1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-61H,1-17H3;2*18-63H,1-17H3
InChIKeyPUYBFYFZARELHV-UHFFFAOYSA-N
MW4204.81 g/mol
LogP86.03
Rot. Bonds32

About 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

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 (PubChem CID 163883037) has the molecular formula C305H289N9O6Si and a molecular weight of 4204.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID163883037
Molecular FormulaC305H289N9O6Si
Molecular Weight4204.81 g/mol
Exact Mass4201.24
IUPAC Name9-[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4c(c2)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccccc45)c4c(c2-3)-c2ccccc2C4(C)C)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C102H95N3O2.C102H97N3O2.C101H97N3O2Si/c1-96(2,3)62-36-38-66(39-37-62)102(68-47-57-85-80(59-68)79-58-67(100(13,14)15)46-56-84(79)104(85)70-50-42-64(43-51-70)98(7,8)9)82-60-72(103(69-48-40-63(41-49-69)97(4,5)6)86-32-24-29-75-73-26-19-22-34-89(73)106-94(75)86)54-55-78(82)91-83(102)61-88(93-92(91)77-28-18-21-31-81(77)101(93,16)17)105(71-52-44-65(45-53-71)99(10,11)12)87-33-25-30-76-74-27-20-23-35-90(74)107-95(76)87;1-96(2,3)64-36-38-69(39-37-64)102(70-48-58-73(59-49-70)103(71-50-40-65(41-51-71)97(4,5)6)72-52-42-66(43-53-72)98(7,8)9)84-62-76(104(74-54-44-67(45-55-74)99(10,11)12)86-32-24-29-79-77-26-19-22-34-89(77)106-94(79)86)60-61-82(84)91-85(102)63-88(93-92(91)81-28-18-21-31-83(81)101(93,16)17)105(75-56-46-68(47-57-75)100(13,14)15)87-33-25-30-80-78-27-20-23-35-90(78)107-95(80)87;1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-61H,1-17H3;2*18-63H,1-17H3
InChIKeyPUYBFYFZARELHV-UHFFFAOYSA-N
XLogP86.03
TPSA109.69 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004204.81
LogP ≤ 586.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
CID 163883040
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
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[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 163416775
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
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
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-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
N-(4-tert-butylphenyl)-14,14-dimethyl-N-(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-amine
CID 140786774
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021
5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 162060019
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc([Si](C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)ccc4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4-c4ccccc4C3(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)(c2ccc4c(c2)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccccc45)c4c(c2-3)-c2ccccc2C4(C)C)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is PUYBFYFZARELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H95N3O2.C102H97N3O2.C101H97N3O2Si/c1-96(2,3)62-36-38-66(39-37-62)102(68-47-57-85-80(59-68)79-58-67(100(13,14)15)46-56-84(79)104(85)70-50-42-64(43-51-70)98(7,8)9)82-60-72(103(69-48-40-63(41-49-69)97(4,5)6)86-32-24-29-75-73-26-19-22-34-89(73)106-94(75)86)54-55-78(82)91-83(102)61-88(93-92(91)77-28-18-21-31-81(77)101(93,16)17)105(71-52-44-65(45-53-71)99(10,11)12)87-33-25-30-76-74-27-20-23-35-90(74)107-95(76)87;1-96(2,3)64-36-38-69(39-37-64)102(70-48-58-73(59-49-70)103(71-50-40-65(41-51-71)97(4,5)6)72-52-42-66(43-53-72)98(7,8)9)84-62-76(104(74-54-44-67(45-55-74)99(10,11)12)86-32-24-29-79-77-26-19-22-34-89(77)106-94(79)86)60-61-82(84)91-85(102)63-88(93-92(91)81-28-18-21-31-83(81)101(93,16)17)105(75-56-46-68(47-57-75)100(13,14)15)87-33-25-30-80-78-27-20-23-35-90(78)107-95(80)87;1-96(2,3)64-36-48-70(49-37-64)102(71-50-38-65(39-51-71)97(4,5)6)72-56-44-68(45-57-72)101(69-46-59-76(60-47-69)107(15,16)17)84-62-75(103(73-52-40-66(41-53-73)98(7,8)9)86-32-24-29-79-77-26-19-22-34-89(77)105-94(79)86)58-61-82(84)91-85(101)63-88(93-92(91)81-28-18-21-31-83(81)100(93,13)14)104(74-54-42-67(43-55-74)99(10,11)12)87-33-25-30-80-78-27-20-23-35-90(78)106-95(80)87/h18-61H,1-17H3;2*18-63H,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 4204.81 g/mol, XLogP of 86.03, 32 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163883037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).