10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

C232H152N8O6S4 — CID 158785901

IUPAC10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3sc3c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5ccccc5c34)cc21.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2ccccc2c2c1sc1c(N(c3ccccc3C)c3cccc4c3oc3ccccc34)cc3ccccc3c12.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4ccccc4c23)cc1.c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1
InChIInChI=1S/C62H46N2S.C58H38N2O2S.2C56H34N2O2S/c1-61(2)51-29-17-15-27-47(51)49-33-31-43(37-53(49)61)63(41-21-7-5-8-22-41)55-35-39-19-11-13-25-45(39)57-58-46-26-14-12-20-40(46)36-56(60(58)65-59(55)57)64(42-23-9-6-10-24-42)44-32-34-50-48-28-16-18-30-52(48)62(3,4)54(50)38-44;1-35-17-3-11-27-45(35)59(47-29-15-25-43-41-23-9-13-31-51(41)61-55(43)47)49-33-37-19-5-7-21-39(37)53-54-40-22-8-6-20-38(40)34-50(58(54)63-57(49)53)60(46-28-12-4-18-36(46)2)48-30-16-26-44-42-24-10-14-32-52(42)62-56(44)48;1-3-19-37(20-4-1)57(45-29-15-27-43-41-25-11-13-31-49(41)59-53(43)45)47-33-35-17-7-9-23-39(35)51-52-40-24-10-8-18-36(40)34-48(56(52)61-55(47)51)58(38-21-5-2-6-22-38)46-30-16-28-44-42-26-12-14-32-50(42)60-54(44)46;1-3-17-37(18-4-1)57(39-27-29-51-45(33-39)43-23-11-13-25-49(43)59-51)47-31-35-15-7-9-21-41(35)53-54-42-22-10-8-16-36(42)32-48(56(54)61-55(47)53)58(38-19-5-2-6-20-38)40-28-30-52-46(34-40)44-24-12-14-26-50(44)60-52/h5-38H,1-4H3;3-34H,1-2H3;2*1-34H
InChIKeyIRRIAXRNEHDXQU-UHFFFAOYSA-N
MW3276.09 g/mol
LogP69.83
Rot. Bonds24

About 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 158785901) has the molecular formula C232H152N8O6S4 and a molecular weight of 3276.09 g/mol. Its IUPAC name is 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

Compound Name10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
PubChem CID158785901
Molecular FormulaC232H152N8O6S4
Molecular Weight3276.09 g/mol
Exact Mass3273.07
IUPAC Name10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3sc3c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5ccccc5c34)cc21.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2ccccc2c2c1sc1c(N(c3ccccc3C)c3cccc4c3oc3ccccc34)cc3ccccc3c12.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4ccccc4c23)cc1.c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1
InChIInChI=1S/C62H46N2S.C58H38N2O2S.2C56H34N2O2S/c1-61(2)51-29-17-15-27-47(51)49-33-31-43(37-53(49)61)63(41-21-7-5-8-22-41)55-35-39-19-11-13-25-45(39)57-58-46-26-14-12-20-40(46)36-56(60(58)65-59(55)57)64(42-23-9-6-10-24-42)44-32-34-50-48-28-16-18-30-52(48)62(3,4)54(50)38-44;1-35-17-3-11-27-45(35)59(47-29-15-25-43-41-23-9-13-31-51(41)61-55(43)47)49-33-37-19-5-7-21-39(37)53-54-40-22-8-6-20-38(40)34-50(58(54)63-57(49)53)60(46-28-12-4-18-36(46)2)48-30-16-26-44-42-24-10-14-32-52(42)62-56(44)48;1-3-19-37(20-4-1)57(45-29-15-27-43-41-25-11-13-31-49(41)59-53(43)45)47-33-35-17-7-9-23-39(35)51-52-40-24-10-8-18-36(40)34-48(56(52)61-55(47)51)58(38-21-5-2-6-22-38)46-30-16-28-44-42-26-12-14-32-50(42)60-54(44)46;1-3-17-37(18-4-1)57(39-27-29-51-45(33-39)43-23-11-13-25-49(43)59-51)47-31-35-15-7-9-21-41(35)53-54-42-22-10-8-16-36(42)32-48(56(54)61-55(47)53)58(38-19-5-2-6-20-38)40-28-30-52-46(34-40)44-24-12-14-26-50(44)60-52/h5-38H,1-4H3;3-34H,1-2H3;2*1-34H
InChIKeyIRRIAXRNEHDXQU-UHFFFAOYSA-N
XLogP69.83
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003276.09
LogP ≤ 569.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine with MolForge

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Related Compounds

6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159858107
10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine
CID 155082738
18-N-dibenzofuran-4-yl-5-N-(9,9-dimethylfluoren-2-yl)-12-methyl-18-N-phenyl-5-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260178
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 158392246
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431
9-N,20-N-bis(9,9-dimethylfluoren-2-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(dibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(dibenzofuran-4-yl)-9-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(dibenzofuran-4-yl)-9-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(dibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 163877124
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160559778
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
18-N-dibenzofuran-4-yl-5-N-(9,9-dimethylfluoren-2-yl)-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-naphthalen-2-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-phenanthren-2-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 159484484

Frequently Asked Questions

What is the IUPAC name of 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The IUPAC name of 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 158785901) is 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
What is the SMILES notation for 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The canonical SMILES for 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3sc3c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5ccccc5c34)cc21.Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cc2ccccc2c2c1sc1c(N(c3ccccc3C)c3cccc4c3oc3ccccc34)cc3ccccc3c12.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4ccccc4c23)cc1.c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1.
What is the InChIKey of 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The InChIKey is IRRIAXRNEHDXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2S.C58H38N2O2S.2C56H34N2O2S/c1-61(2)51-29-17-15-27-47(51)49-33-31-43(37-53(49)61)63(41-21-7-5-8-22-41)55-35-39-19-11-13-25-45(39)57-58-46-26-14-12-20-40(46)36-56(60(58)65-59(55)57)64(42-23-9-6-10-24-42)44-32-34-50-48-28-16-18-30-52(48)62(3,4)54(50)38-44;1-35-17-3-11-27-45(35)59(47-29-15-25-43-41-23-9-13-31-51(41)61-55(43)47)49-33-37-19-5-7-21-39(37)53-54-40-22-8-6-20-38(40)34-50(58(54)63-57(49)53)60(46-28-12-4-18-36(46)2)48-30-16-26-44-42-24-10-14-32-52(42)62-56(44)48;1-3-19-37(20-4-1)57(45-29-15-27-43-41-25-11-13-31-49(41)59-53(43)45)47-33-35-17-7-9-23-39(35)51-52-40-24-10-8-18-36(40)34-48(56(52)61-55(47)51)58(38-21-5-2-6-22-38)46-30-16-28-44-42-26-12-14-32-50(42)60-54(44)46;1-3-17-37(18-4-1)57(39-27-29-51-45(33-39)43-23-11-13-25-49(43)59-51)47-31-35-15-7-9-21-41(35)53-54-42-22-10-8-16-36(42)32-48(56(54)61-55(47)53)58(38-19-5-2-6-20-38)40-28-30-52-46(34-40)44-24-12-14-26-50(44)60-52/h5-38H,1-4H3;3-34H,1-2H3;2*1-34H.
What are the key properties of 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 3276.09 g/mol, XLogP of 69.83, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 158785901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).