4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine

C384H260N16O12 — CID 164963096

IUPAC4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc(C#N)cc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc(C3CC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(C5CC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2.C64H40N2O2.C60H42N4O2.C58H40N2O2/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;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58;1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-35(2)49-31-53(63(39-23-19-37(33-61)20-24-39)51-15-9-13-45-41-11-5-7-17-55(41)65-59(45)51)47-30-28-44-50(36(3)4)32-54(48-29-27-43(49)57(47)58(44)48)64(40-25-21-38(34-62)22-26-40)52-16-10-14-46-42-12-6-8-18-56(42)66-60(46)52;1-3-13-37(14-4-1)59(49-21-11-19-43-39-17-7-9-23-53(39)61-57(43)49)51-33-47(35-25-26-35)41-30-32-46-52(34-48(36-27-28-36)42-29-31-45(51)55(41)56(42)46)60(38-15-5-2-6-16-38)50-22-12-20-44-40-18-8-10-24-54(40)62-58(44)50/h5-44H,1-4H3;1-38H;5-40H,1-4H3;1-40H;5-32,35-36H,1-4H3;1-24,29-36H,25-28H2
InChIKeyCCNGIQNEUOZDGH-UHFFFAOYSA-N
MW5290.40 g/mol
LogP112.22
Rot. Bonds50

About 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine

4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 164963096) has the molecular formula C384H260N16O12 and a molecular weight of 5290.40 g/mol. Its IUPAC name is 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID164963096
Molecular FormulaC384H260N16O12
Molecular Weight5290.40 g/mol
Exact Mass5286.02
IUPAC Name4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccc(C#N)cc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc(C3CC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(C5CC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2.C64H40N2O2.C60H42N4O2.C58H40N2O2/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;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58;1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-35(2)49-31-53(63(39-23-19-37(33-61)20-24-39)51-15-9-13-45-41-11-5-7-17-55(41)65-59(45)51)47-30-28-44-50(36(3)4)32-54(48-29-27-43(49)57(47)58(44)48)64(40-25-21-38(34-62)22-26-40)52-16-10-14-46-42-12-6-8-18-56(42)66-60(46)52;1-3-13-37(14-4-1)59(49-21-11-19-43-39-17-7-9-23-53(39)61-57(43)49)51-33-47(35-25-26-35)41-30-32-46-52(34-48(36-27-28-36)42-29-31-45(51)55(41)56(42)46)60(38-15-5-2-6-16-38)50-22-12-20-44-40-18-8-10-24-54(40)62-58(44)50/h5-44H,1-4H3;1-38H;5-40H,1-4H3;1-40H;5-32,35-36H,1-4H3;1-24,29-36H,25-28H2
InChIKeyCCNGIQNEUOZDGH-UHFFFAOYSA-N
XLogP112.22
TPSA291.72 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms412
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005290.40
LogP ≤ 5112.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-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-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 163744658
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
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
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
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
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-4,9-di(propan-2-yl)pyrene-1,6-diamine
CID 164977006
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-diphenylpyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 166788491
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
6,8-bis(N-dibenzofuran-4-ylanilino)pyrene-2-carbonitrile
CID 122579016
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 58461954

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 164963096) is 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine is CC(C)c1cc(N(c2ccc(C#N)cc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)c4ccc1c2c34.CC(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.N#Cc1cc(-c2ccccc2)cc(N(c2ccc3ccc4c(N(c5cc(C#N)cc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc(C3CC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(C5CC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is CCNGIQNEUOZDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O2.C66H38N4O2.C66H48N2O2.C64H40N2O2.C60H42N4O2.C58H40N2O2/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;67-39-41-33-47(43-13-3-1-4-14-43)37-49(35-41)69(59-21-11-19-53-51-17-7-9-23-61(51)71-65(53)59)57-31-27-45-26-30-56-58(32-28-46-25-29-55(57)63(45)64(46)56)70(50-36-42(40-68)34-48(38-50)44-15-5-2-6-16-44)60-22-12-20-54-52-18-8-10-24-62(52)72-66(54)60;1-39(2)53-37-59(67(55-27-13-19-41-17-5-7-21-43(41)55)57-29-15-25-49-45-23-9-11-31-61(45)69-65(49)57)51-36-34-48-54(40(3)4)38-60(52-35-33-47(53)63(51)64(48)52)68(56-28-14-20-42-18-6-8-22-44(42)56)58-30-16-26-50-46-24-10-12-32-62(46)70-66(50)58;1-3-17-41(18-4-1)45-21-7-11-27-53(45)65(57-29-15-25-49-47-23-9-13-31-59(47)67-63(49)57)55-39-35-43-34-38-52-56(40-36-44-33-37-51(55)61(43)62(44)52)66(54-28-12-8-22-46(54)42-19-5-2-6-20-42)58-30-16-26-50-48-24-10-14-32-60(48)68-64(50)58;1-35(2)49-31-53(63(39-23-19-37(33-61)20-24-39)51-15-9-13-45-41-11-5-7-17-55(41)65-59(45)51)47-30-28-44-50(36(3)4)32-54(48-29-27-43(49)57(47)58(44)48)64(40-25-21-38(34-62)22-26-40)52-16-10-14-46-42-12-6-8-18-56(42)66-60(46)52;1-3-13-37(14-4-1)59(49-21-11-19-43-39-17-7-9-23-53(39)61-57(43)49)51-33-47(35-25-26-35)41-30-32-46-52(34-48(36-27-28-36)42-29-31-45(51)55(41)56(42)46)60(38-15-5-2-6-16-38)50-22-12-20-44-40-18-8-10-24-54(40)62-58(44)50/h5-44H,1-4H3;1-38H;5-40H,1-4H3;1-40H;5-32,35-36H,1-4H3;1-24,29-36H,25-28H2.
What are the key properties of 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 5290.40 g/mol, XLogP of 112.22, 50 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;3,8-dicyclopropyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;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(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 164963096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).