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

C346H236N12O8S4 — CID 160998766

IUPAC5-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
SMILESCC(C)c1cccc(N(c2c3ccccc3c(N(c3cccc(C(C)C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.CC(C)c1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C(C)C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc7sc8ccccc8c7c6)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2c3ccccc3cc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C64H40N2S2.2C60H46N2O2.C56H38N2O2.C54H34N2O2.C52H32N2S2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)65(49-31-37-61-55(39-49)51-15-7-9-17-59(51)67-61)57-35-25-45-24-34-54-58(36-26-46-23-33-53(57)63(45)64(46)54)66(48-29-21-44(22-30-48)42-13-5-2-6-14-42)50-32-38-62-56(40-50)52-16-8-10-18-60(52)68-62;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-47-25-9-11-31-55(47)63-59(49)53)57-45-23-7-5-17-41(45)36-52-51(57)35-42-18-6-8-24-46(42)58(52)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-48-26-10-12-32-56(48)64-60(50)54;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-45-23-9-11-31-55(45)63-59(49)53)57-47-25-7-8-26-48(47)58(52-36-42-18-6-5-17-41(42)35-51(52)57)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-46-24-10-12-32-56(46)64-60(50)54;1-35-15-11-19-39(31-35)57(49-27-13-25-45-43-23-7-9-29-51(43)59-55(45)49)53-41-21-5-3-17-37(41)34-48-47(53)33-38-18-4-6-22-42(38)54(48)58(40-20-12-16-36(2)32-40)50-28-14-26-46-44-24-8-10-30-52(44)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-41-25-11-13-31-49(41)57-53(43)47)51-39-23-9-7-17-35(39)34-46-45(51)33-36-18-8-10-24-40(36)52(46)56(38-21-5-2-6-22-38)48-30-16-28-44-42-26-12-14-32-50(42)58-54(44)48;1-3-11-35(12-4-1)53(37-23-29-49-43(31-37)39-15-7-9-17-47(39)55-49)45-27-21-33-20-26-42-46(28-22-34-19-25-41(45)51(33)52(34)42)54(36-13-5-2-6-14-36)38-24-30-50-44(32-38)40-16-8-10-18-48(40)56-50/h1-40H;2*5-38H,1-4H3;3-34H,1-2H3;1-34H;1-32H
InChIKeyTVOZBZXXZCZGPX-UHFFFAOYSA-N
MW4818.04 g/mol
LogP104.50
Rot. Bonds42

About 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

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 (PubChem CID 160998766) has the molecular formula C346H236N12O8S4 and a molecular weight of 4818.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID160998766
Molecular FormulaC346H236N12O8S4
Molecular Weight4818.04 g/mol
Exact Mass4813.73
IUPAC Name5-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
SMILESCC(C)c1cccc(N(c2c3ccccc3c(N(c3cccc(C(C)C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.CC(C)c1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C(C)C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc7sc8ccccc8c7c6)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2c3ccccc3cc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C64H40N2S2.2C60H46N2O2.C56H38N2O2.C54H34N2O2.C52H32N2S2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)65(49-31-37-61-55(39-49)51-15-7-9-17-59(51)67-61)57-35-25-45-24-34-54-58(36-26-46-23-33-53(57)63(45)64(46)54)66(48-29-21-44(22-30-48)42-13-5-2-6-14-42)50-32-38-62-56(40-50)52-16-8-10-18-60(52)68-62;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-47-25-9-11-31-55(47)63-59(49)53)57-45-23-7-5-17-41(45)36-52-51(57)35-42-18-6-8-24-46(42)58(52)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-48-26-10-12-32-56(48)64-60(50)54;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-45-23-9-11-31-55(45)63-59(49)53)57-47-25-7-8-26-48(47)58(52-36-42-18-6-5-17-41(42)35-51(52)57)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-46-24-10-12-32-56(46)64-60(50)54;1-35-15-11-19-39(31-35)57(49-27-13-25-45-43-23-7-9-29-51(43)59-55(45)49)53-41-21-5-3-17-37(41)34-48-47(53)33-38-18-4-6-22-42(38)54(48)58(40-20-12-16-36(2)32-40)50-28-14-26-46-44-24-8-10-30-52(44)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-41-25-11-13-31-49(41)57-53(43)47)51-39-23-9-7-17-35(39)34-46-45(51)33-36-18-8-10-24-40(36)52(46)56(38-21-5-2-6-22-38)48-30-16-28-44-42-26-12-14-32-50(42)58-54(44)48;1-3-11-35(12-4-1)53(37-23-29-49-43(31-37)39-15-7-9-17-47(39)55-49)45-27-21-33-20-26-42-46(28-22-34-19-25-41(45)51(33)52(34)42)54(36-13-5-2-6-14-36)38-24-30-50-44(32-38)40-16-8-10-18-48(40)56-50/h1-40H;2*5-38H,1-4H3;3-34H,1-2H3;1-34H;1-32H
InChIKeyTVOZBZXXZCZGPX-UHFFFAOYSA-N
XLogP104.50
TPSA144.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004818.04
LogP ≤ 5104.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

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
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254489
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
7-N-[8-[dibenzofuran-4-yl(naphthalen-2-yl)amino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyldibenzothiophene-2,7-diamine;7-N-[8-(N-dibenzothiophen-3-yl-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 160895207
1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 159572970
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 165046461
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 170040170
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
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
N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 163578656
N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049326

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(N(c2c3ccccc3c(N(c3cccc(C(C)C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.CC(C)c1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C(C)C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2c3ccccc3cc3c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc7sc8ccccc8c7c6)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2c3ccccc3cc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is TVOZBZXXZCZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2S2.2C60H46N2O2.C56H38N2O2.C54H34N2O2.C52H32N2S2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)65(49-31-37-61-55(39-49)51-15-7-9-17-59(51)67-61)57-35-25-45-24-34-54-58(36-26-46-23-33-53(57)63(45)64(46)54)66(48-29-21-44(22-30-48)42-13-5-2-6-14-42)50-32-38-62-56(40-50)52-16-8-10-18-60(52)68-62;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-47-25-9-11-31-55(47)63-59(49)53)57-45-23-7-5-17-41(45)36-52-51(57)35-42-18-6-8-24-46(42)58(52)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-48-26-10-12-32-56(48)64-60(50)54;1-37(2)39-19-13-21-43(33-39)61(53-29-15-27-49-45-23-9-11-31-55(45)63-59(49)53)57-47-25-7-8-26-48(47)58(52-36-42-18-6-5-17-41(42)35-51(52)57)62(44-22-14-20-40(34-44)38(3)4)54-30-16-28-50-46-24-10-12-32-56(46)64-60(50)54;1-35-15-11-19-39(31-35)57(49-27-13-25-45-43-23-7-9-29-51(43)59-55(45)49)53-41-21-5-3-17-37(41)34-48-47(53)33-38-18-4-6-22-42(38)54(48)58(40-20-12-16-36(2)32-40)50-28-14-26-46-44-24-8-10-30-52(44)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-41-25-11-13-31-49(41)57-53(43)47)51-39-23-9-7-17-35(39)34-46-45(51)33-36-18-8-10-24-40(36)52(46)56(38-21-5-2-6-22-38)48-30-16-28-44-42-26-12-14-32-50(42)58-54(44)48;1-3-11-35(12-4-1)53(37-23-29-49-43(31-37)39-15-7-9-17-47(39)55-49)45-27-21-33-20-26-42-46(28-22-34-19-25-41(45)51(33)52(34)42)54(36-13-5-2-6-14-36)38-24-30-50-44(32-38)40-16-8-10-18-48(40)56-50/h1-40H;2*5-38H,1-4H3;3-34H,1-2H3;1-34H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 4818.04 g/mol, XLogP of 104.50, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).