7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

C348H244N8S8Si2 — CID 159367281

IUPAC7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESC[Si](C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccc([Si](C)(C)C)cc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1.Cc1cccc(C)c1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6c(C)cccc6C)ccc5c4cc3cc12.Cc1ccccc1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6ccccc6C)ccc5c4cc3cc12.c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccccc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1
InChIInChI=1S/C90H70N2S2Si2.C88H62N2S2.C86H58N2S2.C84H54N2S2/c1-95(2,3)71-45-39-65(40-46-71)91(67-29-21-27-63(55-67)89(61-23-9-7-10-24-61)81-35-17-13-31-73(81)74-32-14-18-36-82(74)89)69-43-49-77-79-51-59-52-80-78-50-44-70(58-88(78)94-86(80)54-60(59)53-85(79)93-87(77)57-69)92(66-41-47-72(48-42-66)96(4,5)6)68-30-22-28-64(56-68)90(62-25-11-8-12-26-62)83-37-19-15-33-75(83)76-34-16-20-38-84(76)90;1-55-23-19-24-56(2)85(55)89(65-33-21-31-63(51-65)87(61-27-7-5-8-28-61)77-39-15-11-35-69(77)70-36-12-16-40-78(70)87)67-43-45-73-75-47-59-48-76-74-46-44-68(54-84(74)92-82(76)50-60(59)49-81(75)91-83(73)53-67)90(86-57(3)25-20-26-58(86)4)66-34-22-32-64(52-66)88(62-29-9-6-10-30-62)79-41-17-13-37-71(79)72-38-14-18-42-80(72)88;1-55-23-9-19-41-79(55)87(63-31-21-29-61(51-63)85(59-25-5-3-6-26-59)75-37-15-11-33-67(75)68-34-12-16-38-76(68)85)65-43-45-71-73-47-57-48-74-72-46-44-66(54-84(72)90-82(74)50-58(57)49-81(73)89-83(71)53-65)88(80-42-20-10-24-56(80)2)64-32-22-30-62(52-64)86(60-27-7-4-8-28-60)77-39-17-13-35-69(77)70-36-14-18-40-78(70)86;1-5-23-57(24-6-1)83(75-39-17-13-35-67(75)68-36-14-18-40-76(68)83)59-27-21-33-63(51-59)85(61-29-9-3-10-30-61)65-43-45-71-73-47-55-48-74-72-46-44-66(54-82(72)88-80(74)50-56(55)49-79(73)87-81(71)53-65)86(62-31-11-4-12-32-62)64-34-22-28-60(52-64)84(58-25-7-2-8-26-58)77-41-19-15-37-69(77)70-38-16-20-42-78(70)84/h7-58H,1-6H3;5-54H,1-4H3;3-54H,1-2H3;1-54H
InChIKeyLJHFYAACJBSBGN-UHFFFAOYSA-N
MW4850.54 g/mol
LogP95.91
Rot. Bonds42

About 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 159367281) has the molecular formula C348H244N8S8Si2 and a molecular weight of 4850.54 g/mol. Its IUPAC name is 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
PubChem CID159367281
Molecular FormulaC348H244N8S8Si2
Molecular Weight4850.54 g/mol
Exact Mass4845.66
IUPAC Name7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESC[Si](C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccc([Si](C)(C)C)cc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1.Cc1cccc(C)c1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6c(C)cccc6C)ccc5c4cc3cc12.Cc1ccccc1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6ccccc6C)ccc5c4cc3cc12.c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccccc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1
InChIInChI=1S/C90H70N2S2Si2.C88H62N2S2.C86H58N2S2.C84H54N2S2/c1-95(2,3)71-45-39-65(40-46-71)91(67-29-21-27-63(55-67)89(61-23-9-7-10-24-61)81-35-17-13-31-73(81)74-32-14-18-36-82(74)89)69-43-49-77-79-51-59-52-80-78-50-44-70(58-88(78)94-86(80)54-60(59)53-85(79)93-87(77)57-69)92(66-41-47-72(48-42-66)96(4,5)6)68-30-22-28-64(56-68)90(62-25-11-8-12-26-62)83-37-19-15-33-75(83)76-34-16-20-38-84(76)90;1-55-23-19-24-56(2)85(55)89(65-33-21-31-63(51-65)87(61-27-7-5-8-28-61)77-39-15-11-35-69(77)70-36-12-16-40-78(70)87)67-43-45-73-75-47-59-48-76-74-46-44-68(54-84(74)92-82(76)50-60(59)49-81(75)91-83(73)53-67)90(86-57(3)25-20-26-58(86)4)66-34-22-32-64(52-66)88(62-29-9-6-10-30-62)79-41-17-13-37-71(79)72-38-14-18-42-80(72)88;1-55-23-9-19-41-79(55)87(63-31-21-29-61(51-63)85(59-25-5-3-6-26-59)75-37-15-11-33-67(75)68-34-12-16-38-76(68)85)65-43-45-71-73-47-57-48-74-72-46-44-66(54-84(72)90-82(74)50-58(57)49-81(73)89-83(71)53-65)88(80-42-20-10-24-56(80)2)64-32-22-30-62(52-64)86(60-27-7-4-8-28-60)77-39-17-13-35-69(77)70-36-14-18-40-78(70)86;1-5-23-57(24-6-1)83(75-39-17-13-35-67(75)68-36-14-18-40-76(68)83)59-27-21-33-63(51-59)85(61-29-9-3-10-30-61)65-43-45-71-73-47-55-48-74-72-46-44-66(54-82(72)88-80(74)50-56(55)49-79(73)87-81(71)53-65)86(62-31-11-4-12-32-62)64-34-22-28-60(52-64)84(58-25-7-2-8-26-58)77-41-19-15-37-69(77)70-38-16-20-42-78(70)84/h7-58H,1-6H3;5-54H,1-4H3;3-54H,1-2H3;1-54H
InChIKeyLJHFYAACJBSBGN-UHFFFAOYSA-N
XLogP95.91
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004850.54
LogP ≤ 595.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine with MolForge

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Related Compounds

7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 162086715
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
1-N,6-N-bis(2,6-dimethylphenyl)-3,8-diphenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-6-N-[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 118333146
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
9-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681079
1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
CID 163630464
7-N-(9-methyl-9-phenylfluoren-3-yl)-1-N,1-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene-1,7-diamine
CID 166659193
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (CID 159367281) is 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is C[Si](C)(C)c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccc([Si](C)(C)C)cc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1.Cc1cccc(C)c1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6c(C)cccc6C)ccc5c4cc3cc12.Cc1ccccc1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4sc5cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6ccccc6C)ccc5c4cc3cc12.c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5sc6cc(N(c7ccccc7)c7cccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)c7)ccc6c5cc4cc23)cc1.
What is the InChIKey of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The InChIKey is LJHFYAACJBSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H70N2S2Si2.C88H62N2S2.C86H58N2S2.C84H54N2S2/c1-95(2,3)71-45-39-65(40-46-71)91(67-29-21-27-63(55-67)89(61-23-9-7-10-24-61)81-35-17-13-31-73(81)74-32-14-18-36-82(74)89)69-43-49-77-79-51-59-52-80-78-50-44-70(58-88(78)94-86(80)54-60(59)53-85(79)93-87(77)57-69)92(66-41-47-72(48-42-66)96(4,5)6)68-30-22-28-64(56-68)90(62-25-11-8-12-26-62)83-37-19-15-33-75(83)76-34-16-20-38-84(76)90;1-55-23-19-24-56(2)85(55)89(65-33-21-31-63(51-65)87(61-27-7-5-8-28-61)77-39-15-11-35-69(77)70-36-12-16-40-78(70)87)67-43-45-73-75-47-59-48-76-74-46-44-68(54-84(74)92-82(76)50-60(59)49-81(75)91-83(73)53-67)90(86-57(3)25-20-26-58(86)4)66-34-22-32-64(52-66)88(62-29-9-6-10-30-62)79-41-17-13-37-71(79)72-38-14-18-42-80(72)88;1-55-23-9-19-41-79(55)87(63-31-21-29-61(51-63)85(59-25-5-3-6-26-59)75-37-15-11-33-67(75)68-34-12-16-38-76(68)85)65-43-45-71-73-47-57-48-74-72-46-44-66(54-84(72)90-82(74)50-58(57)49-81(73)89-83(71)53-65)88(80-42-20-10-24-56(80)2)64-32-22-30-62(52-64)86(60-27-7-4-8-28-60)77-39-17-13-35-69(77)70-36-14-18-40-78(70)86;1-5-23-57(24-6-1)83(75-39-17-13-35-67(75)68-36-14-18-40-76(68)83)59-27-21-33-63(51-59)85(61-29-9-3-10-30-61)65-43-45-71-73-47-55-48-74-72-46-44-66(54-82(72)88-80(74)50-56(55)49-79(73)87-81(71)53-65)86(62-31-11-4-12-32-62)64-34-22-28-60(52-64)84(58-25-7-2-8-26-58)77-41-19-15-37-69(77)70-38-16-20-42-78(70)84/h7-58H,1-6H3;5-54H,1-4H3;3-54H,1-2H3;1-54H.
What are the key properties of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine has a molecular weight of 4850.54 g/mol, XLogP of 95.91, 42 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(2-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-7-N,19-N-bis(4-trimethylsilylphenyl)-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is sourced from PubChem (CID 159367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).