1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine

C432H317F3N14O14 — CID 162064774

IUPAC1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CCCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(CCCC)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(F)(F)F)cccc67)ccc6ccc3c4c65)cccc12.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/2C66H44N2O2.C64H52N2O2.C62H48N2O2.2C60H48N2O2.C54H33F3N2O2/c1-41-15-9-25-51-53-27-13-29-59(65(53)69-63(41)51)67(49-23-11-21-47(39-49)43-17-5-3-6-18-43)57-37-33-45-32-36-56-58(38-34-46-31-35-55(57)61(45)62(46)56)68(50-24-12-22-48(40-50)44-19-7-4-8-20-44)60-30-14-28-54-52-26-10-16-42(2)64(52)70-66(54)60;1-41-13-9-19-51-53-21-11-23-59(65(53)69-63(41)51)67(49-33-25-45(26-34-49)43-15-5-3-6-16-43)57-39-31-47-30-38-56-58(40-32-48-29-37-55(57)61(47)62(48)56)68(50-35-27-46(28-36-50)44-17-7-4-8-18-44)60-24-12-22-54-52-20-10-14-42(2)64(52)70-66(54)60;1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42;1-3-19-43(20-4-1)63(55-29-13-27-49-47-25-11-23-45(39-15-7-8-16-39)59(47)65-61(49)55)53-37-33-41-32-36-52-54(38-34-42-31-35-51(53)57(41)58(42)52)64(44-21-5-2-6-22-44)56-30-14-28-50-48-26-12-24-46(40-17-9-10-18-40)60(48)66-62(50)56;1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-5-17-41-19-13-25-45-47-27-15-29-53(59(47)63-57(41)45)61(43-21-9-7-10-22-43)51-37-33-39-32-36-50-52(38-34-40-31-35-49(51)55(39)56(40)50)62(44-23-11-8-12-24-44)54-30-16-28-48-46-26-14-20-42(18-6-4-2)58(46)64-60(48)54;1-32-12-8-17-37-39-19-10-22-46(52(39)60-50(32)37)58(35-13-4-2-5-14-35)44-30-26-33-25-29-42-45(31-27-34-24-28-41(44)48(33)49(34)42)59(36-15-6-3-7-16-36)47-23-11-20-40-38-18-9-21-43(54(55,56)57)51(38)61-53(40)47/h2*3-40H,1-2H3;3-4,9-16,21-42H,1-2,5-8,17-20H2;1-6,11-14,19-40H,7-10,15-18H2;7-36H,1-6H3;7-16,19-38H,3-6,17-18H2,1-2H3;2-31H,1H3
InChIKeyZAHUWQIXHURDSU-UHFFFAOYSA-N
MW5985.37 g/mol
LogP129.18
Rot. Bonds56

About 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine

1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine (PubChem CID 162064774) has the molecular formula C432H317F3N14O14 and a molecular weight of 5985.37 g/mol. Its IUPAC name is 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine
PubChem CID162064774
Molecular FormulaC432H317F3N14O14
Molecular Weight5985.37 g/mol
Exact Mass5980.45
IUPAC Name1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CCCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(CCCC)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(F)(F)F)cccc67)ccc6ccc3c4c65)cccc12.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/2C66H44N2O2.C64H52N2O2.C62H48N2O2.2C60H48N2O2.C54H33F3N2O2/c1-41-15-9-25-51-53-27-13-29-59(65(53)69-63(41)51)67(49-23-11-21-47(39-49)43-17-5-3-6-18-43)57-37-33-45-32-36-56-58(38-34-46-31-35-55(57)61(45)62(46)56)68(50-24-12-22-48(40-50)44-19-7-4-8-20-44)60-30-14-28-54-52-26-10-16-42(2)64(52)70-66(54)60;1-41-13-9-19-51-53-21-11-23-59(65(53)69-63(41)51)67(49-33-25-45(26-34-49)43-15-5-3-6-16-43)57-39-31-47-30-38-56-58(40-32-48-29-37-55(57)61(47)62(48)56)68(50-35-27-46(28-36-50)44-17-7-4-8-18-44)60-24-12-22-54-52-20-10-14-42(2)64(52)70-66(54)60;1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42;1-3-19-43(20-4-1)63(55-29-13-27-49-47-25-11-23-45(39-15-7-8-16-39)59(47)65-61(49)55)53-37-33-41-32-36-52-54(38-34-42-31-35-51(53)57(41)58(42)52)64(44-21-5-2-6-22-44)56-30-14-28-50-48-26-12-24-46(40-17-9-10-18-40)60(48)66-62(50)56;1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-5-17-41-19-13-25-45-47-27-15-29-53(59(47)63-57(41)45)61(43-21-9-7-10-22-43)51-37-33-39-32-36-50-52(38-34-40-31-35-49(51)55(39)56(40)50)62(44-23-11-8-12-24-44)54-30-16-28-48-46-26-14-20-42(18-6-4-2)58(46)64-60(48)54;1-32-12-8-17-37-39-19-10-22-46(52(39)60-50(32)37)58(35-13-4-2-5-14-35)44-30-26-33-25-29-42-45(31-27-34-24-28-41(44)48(33)49(34)42)59(36-15-6-3-7-16-36)47-23-11-20-40-38-18-9-21-43(54(55,56)57)51(38)61-53(40)47/h2*3-40H,1-2H3;3-4,9-16,21-42H,1-2,5-8,17-20H2;1-6,11-14,19-40H,7-10,15-18H2;7-36H,1-6H3;7-16,19-38H,3-6,17-18H2,1-2H3;2-31H,1H3
InChIKeyZAHUWQIXHURDSU-UHFFFAOYSA-N
XLogP129.18
TPSA229.32 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds56
Heavy Atoms463
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005985.37
LogP ≤ 5129.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine (CID 162064774) is 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CCCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(CCCC)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(F)(F)F)cccc67)ccc6ccc3c4c65)cccc12.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The InChIKey is ZAHUWQIXHURDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H44N2O2.C64H52N2O2.C62H48N2O2.2C60H48N2O2.C54H33F3N2O2/c1-41-15-9-25-51-53-27-13-29-59(65(53)69-63(41)51)67(49-23-11-21-47(39-49)43-17-5-3-6-18-43)57-37-33-45-32-36-56-58(38-34-46-31-35-55(57)61(45)62(46)56)68(50-24-12-22-48(40-50)44-19-7-4-8-20-44)60-30-14-28-54-52-26-10-16-42(2)64(52)70-66(54)60;1-41-13-9-19-51-53-21-11-23-59(65(53)69-63(41)51)67(49-33-25-45(26-34-49)43-15-5-3-6-16-43)57-39-31-47-30-38-56-58(40-32-48-29-37-55(57)61(47)62(48)56)68(50-35-27-46(28-36-50)44-17-7-4-8-18-44)60-24-12-22-54-52-20-10-14-42(2)64(52)70-66(54)60;1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42;1-3-19-43(20-4-1)63(55-29-13-27-49-47-25-11-23-45(39-15-7-8-16-39)59(47)65-61(49)55)53-37-33-41-32-36-52-54(38-34-42-31-35-51(53)57(41)58(42)52)64(44-21-5-2-6-22-44)56-30-14-28-50-48-26-12-24-46(40-17-9-10-18-40)60(48)66-62(50)56;1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-5-17-41-19-13-25-45-47-27-15-29-53(59(47)63-57(41)45)61(43-21-9-7-10-22-43)51-37-33-39-32-36-50-52(38-34-40-31-35-49(51)55(39)56(40)50)62(44-23-11-8-12-24-44)54-30-16-28-48-46-26-14-20-42(18-6-4-2)58(46)64-60(48)54;1-32-12-8-17-37-39-19-10-22-46(52(39)60-50(32)37)58(35-13-4-2-5-14-35)44-30-26-33-25-29-42-45(31-27-34-24-28-41(44)48(33)49(34)42)59(36-15-6-3-7-16-36)47-23-11-20-40-38-18-9-21-43(54(55,56)57)51(38)61-53(40)47/h2*3-40H,1-2H3;3-4,9-16,21-42H,1-2,5-8,17-20H2;1-6,11-14,19-40H,7-10,15-18H2;7-36H,1-6H3;7-16,19-38H,3-6,17-18H2,1-2H3;2-31H,1H3.
What are the key properties of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine has a molecular weight of 5985.37 g/mol, XLogP of 129.18, 56 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-6-N-[6-(trifluoromethyl)dibenzofuran-4-yl]pyrene-1,6-diamine is sourced from PubChem (CID 162064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).