1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

C308H204N16O4S4 — CID 159221568

IUPAC1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.N#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1
InChIInChI=1S/C56H38N2O2.C54H34N2S2.C52H32N6.C52H32N2O2.C52H32N2S2.C42H36N2/c1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54;53-33-41-31-39(35-11-3-1-4-12-35)21-25-45(41)57(49-15-7-9-29-55-49)47-27-19-37-18-24-44-48(28-20-38-17-23-43(47)51(37)52(38)44)58(50-16-8-10-30-56-50)46-26-22-40(32-42(46)34-54)36-13-5-2-6-14-36;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h3-34H,1-2H3;1-34H;1-32H;2*1-32H;5-28H,1-4H3
InChIKeyKRTHEJPTNOCJDK-UHFFFAOYSA-N
MW4321.40 g/mol
LogP90.46
Rot. Bonds38

About 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 159221568) has the molecular formula C308H204N16O4S4 and a molecular weight of 4321.40 g/mol. Its IUPAC name is 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
PubChem CID159221568
Molecular FormulaC308H204N16O4S4
Molecular Weight4321.40 g/mol
Exact Mass4317.51
IUPAC Name1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.N#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1
InChIInChI=1S/C56H38N2O2.C54H34N2S2.C52H32N6.C52H32N2O2.C52H32N2S2.C42H36N2/c1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54;53-33-41-31-39(35-11-3-1-4-12-35)21-25-45(41)57(49-15-7-9-29-55-49)47-27-19-37-18-24-44-48(28-20-38-17-23-43(47)51(37)52(38)44)58(50-16-8-10-30-56-50)46-26-22-40(32-42(46)34-54)36-13-5-2-6-14-36;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h3-34H,1-2H3;1-34H;1-32H;2*1-32H;5-28H,1-4H3
InChIKeyKRTHEJPTNOCJDK-UHFFFAOYSA-N
XLogP90.46
TPSA164.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004321.40
LogP ≤ 590.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine with MolForge

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Related Compounds

5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 157146870
1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 165048300
N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 159129152
N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine;6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;1-N,1-N,6-N,6-N-tetrakis(4-tert-butylphenyl)pyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 161301447
6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 165094367
N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 160931392
6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 161152265
1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
CID 160735260
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-bis(3-methylphenyl)tetracene-5,11-diamine;5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-bis(3-propan-2-ylphenyl)tetracene-5,11-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-propan-2-ylphenyl)tetracene-5,12-diamine;5-N,11-N-di(dibenzofuran-4-yl)-5-N,11-N-diphenyltetracene-5,11-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 160998766
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
5-N,21-N-bis(4-tert-butyl-2-pyridinyl)-5-N,21-N-di(dibenzofuran-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine;5-N,21-N-di(dibenzofuran-2-yl)-5-N,21-N-di(dibenzothiophen-2-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine;5-N,21-N-di(dibenzothiophen-4-yl)-5-N,21-N-bis(4-pyrimidin-5-ylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,21-diamine
CID 160648573

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The IUPAC name of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (CID 159221568) is 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6cccc(N(c7ccccc7)c7ccc8oc9ccc(C)cc9c8c7)c6ccc5c5ccccc45)cc3c2c1.N#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3c4cccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c4ccc3c3ccccc23)cc1.
What is the InChIKey of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The InChIKey is KRTHEJPTNOCJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2.C54H34N2S2.C52H32N6.C52H32N2O2.C52H32N2S2.C42H36N2/c1-35-20-26-53-47(30-35)49-32-39(22-28-55(49)59-53)57(37-12-5-3-6-13-37)51-19-11-18-42-45(51)25-24-43-41-16-9-10-17-44(41)52(34-46(42)43)58(38-14-7-4-8-15-38)40-23-29-56-50(33-40)48-31-36(2)21-27-54(48)60-56;1-3-14-35(15-4-1)55(37-26-30-53-47(32-37)44-20-9-11-24-51(44)57-53)49-23-13-22-40-43(49)29-28-41-39-18-7-8-19-42(39)50(34-46(40)41)56(36-16-5-2-6-17-36)38-27-31-54-48(33-38)45-21-10-12-25-52(45)58-54;53-33-41-31-39(35-11-3-1-4-12-35)21-25-45(41)57(49-15-7-9-29-55-49)47-27-19-37-18-24-44-48(28-20-38-17-23-43(47)51(37)52(38)44)58(50-16-8-10-30-56-50)46-26-22-40(32-42(46)34-54)36-13-5-2-6-14-36;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h3-34H,1-2H3;1-34H;1-32H;2*1-32H;5-28H,1-4H3.
What are the key properties of 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 4321.40 g/mol, XLogP of 90.46, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 159221568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).