1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

C348H256N10O10 — CID 159755671

IUPAC1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCCc1ccc(N(c2ccc3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.CCc1cccc(N(c2ccc3ccc4c(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.Cc1cccc(N(c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/C72H56N2O2.2C70H52N2O2.2C68H48N2O2/c1-43(2)49-19-11-21-51(41-49)73(65-31-15-29-59-57-27-13-25-55(69(57)75-71(59)65)53-23-9-7-17-45(53)5)63-39-35-47-34-38-62-64(40-36-48-33-37-61(63)67(47)68(48)62)74(52-22-12-20-50(42-52)44(3)4)66-32-16-30-60-58-28-14-26-56(70(58)76-72(60)66)54-24-10-8-18-46(54)6;1-5-45-19-11-21-49(41-45)71(63-31-15-29-57-55-27-13-25-53(67(55)73-69(57)63)51-23-9-7-17-43(51)3)61-39-35-47-34-38-60-62(40-36-48-33-37-59(61)65(47)66(48)60)72(50-22-12-20-46(6-2)42-50)64-32-16-30-58-56-28-14-26-54(68(56)74-70(58)64)52-24-10-8-18-44(52)4;1-5-45-27-35-49(36-28-45)71(63-25-13-23-57-55-21-11-19-53(67(55)73-69(57)63)51-17-9-7-15-43(51)3)61-41-33-47-32-40-60-62(42-34-48-31-39-59(61)65(47)66(48)60)72(50-37-29-46(6-2)30-38-50)64-26-14-24-58-56-22-12-20-54(68(56)74-70(58)64)52-18-10-8-16-44(52)4;1-41-15-9-19-47(39-41)69(61-29-13-27-55-53-25-11-23-51(65(53)71-67(55)61)49-21-7-5-17-43(49)3)59-37-33-45-32-36-58-60(38-34-46-31-35-57(59)63(45)64(46)58)70(48-20-10-16-42(2)40-48)62-30-14-28-56-54-26-12-24-52(66(54)72-68(56)62)50-22-8-6-18-44(50)4;1-41-25-33-47(34-26-41)69(61-23-11-21-55-53-19-9-17-51(65(53)71-67(55)61)49-15-7-5-13-43(49)3)59-39-31-45-30-38-58-60(40-32-46-29-37-57(59)63(45)64(46)58)70(48-35-27-42(2)28-36-48)62-24-12-22-56-54-20-10-18-52(66(54)72-68(56)62)50-16-8-6-14-44(50)4/h7-44H,1-6H3;2*7-42H,5-6H2,1-4H3;2*5-40H,1-4H3
InChIKeyNEFNHBDLEXVKJP-UHFFFAOYSA-N
MW4737.94 g/mol
LogP102.10
Rot. Bonds46

About 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 159755671) has the molecular formula C348H256N10O10 and a molecular weight of 4737.94 g/mol. Its IUPAC name is 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
PubChem CID159755671
Molecular FormulaC348H256N10O10
Molecular Weight4737.94 g/mol
Exact Mass4733.98
IUPAC Name1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCCc1ccc(N(c2ccc3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.CCc1cccc(N(c2ccc3ccc4c(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.Cc1cccc(N(c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/C72H56N2O2.2C70H52N2O2.2C68H48N2O2/c1-43(2)49-19-11-21-51(41-49)73(65-31-15-29-59-57-27-13-25-55(69(57)75-71(59)65)53-23-9-7-17-45(53)5)63-39-35-47-34-38-62-64(40-36-48-33-37-61(63)67(47)68(48)62)74(52-22-12-20-50(42-52)44(3)4)66-32-16-30-60-58-28-14-26-56(70(58)76-72(60)66)54-24-10-8-18-46(54)6;1-5-45-19-11-21-49(41-45)71(63-31-15-29-57-55-27-13-25-53(67(55)73-69(57)63)51-23-9-7-17-43(51)3)61-39-35-47-34-38-60-62(40-36-48-33-37-59(61)65(47)66(48)60)72(50-22-12-20-46(6-2)42-50)64-32-16-30-58-56-28-14-26-54(68(56)74-70(58)64)52-24-10-8-18-44(52)4;1-5-45-27-35-49(36-28-45)71(63-25-13-23-57-55-21-11-19-53(67(55)73-69(57)63)51-17-9-7-15-43(51)3)61-41-33-47-32-40-60-62(42-34-48-31-39-59(61)65(47)66(48)60)72(50-37-29-46(6-2)30-38-50)64-26-14-24-58-56-22-12-20-54(68(56)74-70(58)64)52-18-10-8-16-44(52)4;1-41-15-9-19-47(39-41)69(61-29-13-27-55-53-25-11-23-51(65(53)71-67(55)61)49-21-7-5-17-43(49)3)59-37-33-45-32-36-58-60(38-34-46-31-35-57(59)63(45)64(46)58)70(48-20-10-16-42(2)40-48)62-30-14-28-56-54-26-12-24-52(66(54)72-68(56)62)50-22-8-6-18-44(50)4;1-41-25-33-47(34-26-41)69(61-23-11-21-55-53-19-9-17-51(65(53)71-67(55)61)49-15-7-5-13-43(49)3)59-39-31-45-30-38-58-60(40-32-46-29-37-57(59)63(45)64(46)58)70(48-35-27-42(2)28-36-48)62-24-12-22-56-54-20-10-18-52(66(54)72-68(56)62)50-16-8-6-14-44(50)4/h7-44H,1-6H3;2*7-42H,5-6H2,1-4H3;2*5-40H,1-4H3
InChIKeyNEFNHBDLEXVKJP-UHFFFAOYSA-N
XLogP102.10
TPSA163.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds46
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004737.94
LogP ≤ 5102.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 161167879
1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
CID 158236804
1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,6-dimethylphenyl)dibenzofuran-4-yl]-1-N-(2-methylphenyl)-6-N-(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;ethane
CID 160809344
1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158487673
1-N,3-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,3-N-diphenyl-7-propan-2-ylpyrene-1,3-diamine
CID 122578902
2-(N-[6-(3-ethyl-N-(6-phenyldibenzofuran-4-yl)anilino)-3,8-di(propan-2-yl)pyren-1-yl]-3-methylanilino)-6-[3-(2-methylphenyl)phenyl]phenol
CID 144919088
1-N-[6-(dimethyl-λ3-iodanyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-6-N-(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine
CID 144919297
3,8-dicyclohexyl-1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine;3-[1,6-dicyclohexyl-8-(3-ethyl-N-[6-(2-ethylphenyl)dibenzofuran-4-yl]anilino)pyren-4-yl]-6-(2-ethylphenyl)-N-(3-ethylphenyl)dibenzofuran-4-amine
CID 158836452
1-N,6-N-bis(4-cyclohexylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158323347
1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;ethane;toluene
CID 144918792
4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis[6-(2-methylphenyl)dibenzofuran-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-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis[6-(2-methylphenyl)dibenzofuran-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-N,20-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-4-N,20-N-bis(2-phenylphenyl)-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-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-4-N,20-N-bis(3-phenylphenyl)-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 159818822
2-[3-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-6-(N-[6-(N-(6-phenyldibenzofuran-4-yl)-3-propan-2-ylanilino)pyren-1-yl]-3-propan-2-ylanilino)phenol
CID 144918849

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (CID 159755671) is 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is CCc1ccc(N(c2ccc3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.CCc1cccc(N(c2ccc3ccc4c(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1.Cc1cccc(N(c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc6ccc3c4c65)cccc12.
What is the InChIKey of 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The InChIKey is NEFNHBDLEXVKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2O2.2C70H52N2O2.2C68H48N2O2/c1-43(2)49-19-11-21-51(41-49)73(65-31-15-29-59-57-27-13-25-55(69(57)75-71(59)65)53-23-9-7-17-45(53)5)63-39-35-47-34-38-62-64(40-36-48-33-37-61(63)67(47)68(48)62)74(52-22-12-20-50(42-52)44(3)4)66-32-16-30-60-58-28-14-26-56(70(58)76-72(60)66)54-24-10-8-18-46(54)6;1-5-45-19-11-21-49(41-45)71(63-31-15-29-57-55-27-13-25-53(67(55)73-69(57)63)51-23-9-7-17-43(51)3)61-39-35-47-34-38-60-62(40-36-48-33-37-59(61)65(47)66(48)60)72(50-22-12-20-46(6-2)42-50)64-32-16-30-58-56-28-14-26-54(68(56)74-70(58)64)52-24-10-8-18-44(52)4;1-5-45-27-35-49(36-28-45)71(63-25-13-23-57-55-21-11-19-53(67(55)73-69(57)63)51-17-9-7-15-43(51)3)61-41-33-47-32-40-60-62(42-34-48-31-39-59(61)65(47)66(48)60)72(50-37-29-46(6-2)30-38-50)64-26-14-24-58-56-22-12-20-54(68(56)74-70(58)64)52-18-10-8-16-44(52)4;1-41-15-9-19-47(39-41)69(61-29-13-27-55-53-25-11-23-51(65(53)71-67(55)61)49-21-7-5-17-43(49)3)59-37-33-45-32-36-58-60(38-34-46-31-35-57(59)63(45)64(46)58)70(48-20-10-16-42(2)40-48)62-30-14-28-56-54-26-12-24-52(66(54)72-68(56)62)50-22-8-6-18-44(50)4;1-41-25-33-47(34-26-41)69(61-23-11-21-55-53-19-9-17-51(65(53)71-67(55)61)49-15-7-5-13-43(49)3)59-39-31-45-30-38-58-60(40-32-46-29-37-57(59)63(45)64(46)58)70(48-35-27-42(2)28-36-48)62-24-12-22-56-54-20-10-18-52(66(54)72-68(56)62)50-16-8-6-14-44(50)4/h7-44H,1-6H3;2*7-42H,5-6H2,1-4H3;2*5-40H,1-4H3.
What are the key properties of 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 4737.94 g/mol, XLogP of 102.10, 46 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(3-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 159755671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).