1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile

C296H232N12O6S2Si — CID 158659673

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3oc4ccccc4c23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)cc(C(C)C)c5ccc2c3c54)cc1
InChIInChI=1S/C70H52N2O2.2C58H44N2O2.C58H44N2S2.C52H48N4Si/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-35(2)45-33-49(59(37-17-7-5-8-18-37)47-23-15-27-53-57(47)43-21-11-13-25-51(43)61-53)41-32-30-40-46(36(3)4)34-50(42-31-29-39(45)55(41)56(40)42)60(38-19-9-6-10-20-38)48-24-16-28-54-58(48)44-22-12-14-26-52(44)62-54;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33(2)47-30-49(55(38-16-10-35(5)11-17-38)40-20-14-37(54-6)15-21-40)45-28-26-44-48(34(3)4)31-50(46-29-27-43(47)51(45)52(44)46)56(39-18-12-36(32-53)13-19-39)41-22-24-42(25-23-41)57(7,8)9/h5-44H,1-4H3;3*5-36H,1-4H3;10-31,33-34H,1-5,7-9H3
InChIKeyICPDHSKZXITRHR-UHFFFAOYSA-N
MW4145.41 g/mol
LogP89.59
Rot. Bonds43

About 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile

1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile (PubChem CID 158659673) has the molecular formula C296H232N12O6S2Si and a molecular weight of 4145.41 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
PubChem CID158659673
Molecular FormulaC296H232N12O6S2Si
Molecular Weight4145.41 g/mol
Exact Mass4141.74
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3oc4ccccc4c23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)cc(C(C)C)c5ccc2c3c54)cc1
InChIInChI=1S/C70H52N2O2.2C58H44N2O2.C58H44N2S2.C52H48N4Si/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-35(2)45-33-49(59(37-17-7-5-8-18-37)47-23-15-27-53-57(47)43-21-11-13-25-51(43)61-53)41-32-30-40-46(36(3)4)34-50(42-31-29-39(45)55(41)56(40)42)60(38-19-9-6-10-20-38)48-24-16-28-54-58(48)44-22-12-14-26-52(44)62-54;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33(2)47-30-49(55(38-16-10-35(5)11-17-38)40-20-14-37(54-6)15-21-40)45-28-26-44-48(34(3)4)31-50(46-29-27-43(47)51(45)52(44)46)56(39-18-12-36(32-53)13-19-39)41-22-24-42(25-23-41)57(7,8)9/h5-44H,1-4H3;3*5-36H,1-4H3;10-31,33-34H,1-5,7-9H3
InChIKeyICPDHSKZXITRHR-UHFFFAOYSA-N
XLogP89.59
TPSA139.39 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004145.41
LogP ≤ 589.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile with MolForge

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Related Compounds

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
4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyano-2-phenylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]-3-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159901284
6-N-dibenzofuran-4-yl-1-N-dibenzothiophen-4-yl-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 171595842
4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 158992079
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
9-N,15-N-bis(4-fluorophenyl)-9-N,15-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(2-phenylphenyl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;4-(N-[15-(N-(4-isocyanophenyl)anilino)-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-9-yl]anilino)benzonitrile;4-(N-[15-(N-(4-isocyanophenyl)-4-methylanilino)-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-9-yl]-4-methylanilino)benzonitrile;9-N-(4-methylphenyl)-9-N,15-N-diphenyl-15-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 158333740
4-[[6-[4-cyano-N-dibenzofuran-4-yl-2-(4-triphenylsilylphenyl)anilino]-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]-3-(4-triphenylsilylphenyl)benzonitrile
CID 155620029
4-[[6-[4-cyano-N-dibenzofuran-4-yl-2-(4-triphenylsilylphenyl)anilino]-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]-3-(4-triphenylsilylphenyl)benzonitrile;2-[dibenzofuran-4-yl-[6-[N-dibenzofuran-4-yl-2-isocyano-6-(4-triphenylsilylphenyl)anilino]-3,8-di(propan-2-yl)pyren-1-yl]amino]-3-(4-triphenylsilylphenyl)benzonitrile
CID 158313975
N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 163806431
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
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
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile (CID 158659673) is 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile is CC(C)c1cc(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2)c2cccc3oc4ccccc4c23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)cc(C(C)C)c5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile?
The InChIKey is ICPDHSKZXITRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O2.2C58H44N2O2.C58H44N2S2.C52H48N4Si/c1-43(2)57-41-63(71(59-31-15-11-25-47(59)45-21-7-5-8-22-45)61-33-19-29-53-49-27-13-17-35-65(49)73-69(53)61)55-40-38-52-58(44(3)4)42-64(56-39-37-51(57)67(55)68(52)56)72(60-32-16-12-26-48(60)46-23-9-6-10-24-46)62-34-20-30-54-50-28-14-18-36-66(50)74-70(54)62;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-35(2)45-33-49(59(37-17-7-5-8-18-37)47-23-15-27-53-57(47)43-21-11-13-25-51(43)61-53)41-32-30-40-46(36(3)4)34-50(42-31-29-39(45)55(41)56(40)42)60(38-19-9-6-10-20-38)48-24-16-28-54-58(48)44-22-12-14-26-52(44)62-54;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33(2)47-30-49(55(38-16-10-35(5)11-17-38)40-20-14-37(54-6)15-21-40)45-28-26-44-48(34(3)4)31-50(46-29-27-43(47)51(45)52(44)46)56(39-18-12-36(32-53)13-19-39)41-22-24-42(25-23-41)57(7,8)9/h5-44H,1-4H3;3*5-36H,1-4H3;10-31,33-34H,1-5,7-9H3.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile?
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile has a molecular weight of 4145.41 g/mol, XLogP of 89.59, 43 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-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-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile is sourced from PubChem (CID 158659673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).