1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

C280H240N8O8 — CID 158656168

IUPAC1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CC(C)(C)Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1.Cc1ccc(C)c(N(c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1
InChIInChI=1S/2C74H60N2O2.2C66H60N2O2/c1-73(2,3)45-53-25-15-29-57-59-31-17-33-65(71(59)77-69(53)57)75(55-27-13-23-51(43-55)47-19-9-7-10-20-47)63-41-37-49-36-40-62-64(42-38-50-35-39-61(63)67(49)68(50)62)76(56-28-14-24-52(44-56)48-21-11-8-12-22-48)66-34-18-32-60-58-30-16-26-54(46-74(4,5)6)70(58)78-72(60)66;1-73(2,3)45-53-21-13-23-57-59-25-15-27-65(71(59)77-69(53)57)75(55-37-29-49(30-38-55)47-17-9-7-10-18-47)63-43-35-51-34-42-62-64(44-36-52-33-41-61(63)67(51)68(52)62)76(56-39-31-50(32-40-56)48-19-11-8-12-20-48)66-28-16-26-60-58-24-14-22-54(46-74(4,5)6)70(58)78-72(60)66;1-39-31-40(2)34-47(33-39)67(57-21-13-19-51-49-17-11-15-45(37-65(5,6)7)61(49)69-63(51)57)55-29-25-43-24-28-54-56(30-26-44-23-27-53(55)59(43)60(44)54)68(48-35-41(3)32-42(4)36-48)58-22-14-20-52-50-18-12-16-46(38-66(8,9)10)62(50)70-64(52)58;1-39-23-25-41(3)57(35-39)67(55-21-13-19-49-47-17-11-15-45(37-65(5,6)7)61(47)69-63(49)55)53-33-29-43-28-32-52-54(34-30-44-27-31-51(53)59(43)60(44)52)68(58-36-40(2)24-26-42(58)4)56-22-14-20-50-48-18-12-16-46(38-66(8,9)10)62(48)70-64(50)56/h2*7-44H,45-46H2,1-6H3;2*11-36H,37-38H2,1-10H3
InChIKeyICDXHQTXUCOSTI-UHFFFAOYSA-N
MW3845.05 g/mol
LogP83.13
Rot. Bonds36

About 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (PubChem CID 158656168) has the molecular formula C280H240N8O8 and a molecular weight of 3845.05 g/mol. Its IUPAC name is 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
PubChem CID158656168
Molecular FormulaC280H240N8O8
Molecular Weight3845.05 g/mol
Exact Mass3841.86
IUPAC Name1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILESCC(C)(C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CC(C)(C)Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1.Cc1ccc(C)c(N(c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1
InChIInChI=1S/2C74H60N2O2.2C66H60N2O2/c1-73(2,3)45-53-25-15-29-57-59-31-17-33-65(71(59)77-69(53)57)75(55-27-13-23-51(43-55)47-19-9-7-10-20-47)63-41-37-49-36-40-62-64(42-38-50-35-39-61(63)67(49)68(50)62)76(56-28-14-24-52(44-56)48-21-11-8-12-22-48)66-34-18-32-60-58-30-16-26-54(46-74(4,5)6)70(58)78-72(60)66;1-73(2,3)45-53-21-13-23-57-59-25-15-27-65(71(59)77-69(53)57)75(55-37-29-49(30-38-55)47-17-9-7-10-18-47)63-43-35-51-34-42-62-64(44-36-52-33-41-61(63)67(51)68(52)62)76(56-39-31-50(32-40-56)48-19-11-8-12-20-48)66-28-16-26-60-58-24-14-22-54(46-74(4,5)6)70(58)78-72(60)66;1-39-31-40(2)34-47(33-39)67(57-21-13-19-51-49-17-11-15-45(37-65(5,6)7)61(49)69-63(51)57)55-29-25-43-24-28-54-56(30-26-44-23-27-53(55)59(43)60(44)54)68(48-35-41(3)32-42(4)36-48)58-22-14-20-52-50-18-12-16-46(38-66(8,9)10)62(50)70-64(52)58;1-39-23-25-41(3)57(35-39)67(55-21-13-19-49-47-17-11-15-45(37-65(5,6)7)61(47)69-63(49)55)53-33-29-43-28-32-52-54(34-30-44-27-31-51(53)59(43)60(44)52)68(58-36-40(2)24-26-42(58)4)56-22-14-20-50-48-18-12-16-46(38-66(8,9)10)62(48)70-64(50)56/h2*7-44H,45-46H2,1-6H3;2*11-36H,37-38H2,1-10H3
InChIKeyICDXHQTXUCOSTI-UHFFFAOYSA-N
XLogP83.13
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003845.05
LogP ≤ 583.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

4-N,20-N-bis(2,5-dimethylphenyl)-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-N,20-N-bis(3,5-dimethylphenyl)-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-N,20-N-bis(3-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-N,20-N-bis(4-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
CID 159788251
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 129062537
7-tert-butyl-1-N,3-N-bis(2,5-dimethylphenyl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,1-N,3-N,3-N-tetrakis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 160798873
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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,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-di(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 161067332
1-N,6-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine
CID 129062646
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
4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 163610444
6-N,17-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,17-N-bis(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032140
1-N,6-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062653
1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 162041133
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-ethyldibenzofuran-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(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(6-propyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158782773

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (CID 158656168) is 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is CC(C)(C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.CC(C)(C)Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(CC(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.Cc1cc(C)cc(N(c2ccc3ccc4c(N(c5cc(C)cc(C)c5)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1.Cc1ccc(C)c(N(c2ccc3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(CC(C)(C)C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(CC(C)(C)C)cccc23)c1.
What is the InChIKey of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The InChIKey is ICDXHQTXUCOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H60N2O2.2C66H60N2O2/c1-73(2,3)45-53-25-15-29-57-59-31-17-33-65(71(59)77-69(53)57)75(55-27-13-23-51(43-55)47-19-9-7-10-20-47)63-41-37-49-36-40-62-64(42-38-50-35-39-61(63)67(49)68(50)62)76(56-28-14-24-52(44-56)48-21-11-8-12-22-48)66-34-18-32-60-58-30-16-26-54(46-74(4,5)6)70(58)78-72(60)66;1-73(2,3)45-53-21-13-23-57-59-25-15-27-65(71(59)77-69(53)57)75(55-37-29-49(30-38-55)47-17-9-7-10-18-47)63-43-35-51-34-42-62-64(44-36-52-33-41-61(63)67(51)68(52)62)76(56-39-31-50(32-40-56)48-19-11-8-12-20-48)66-28-16-26-60-58-24-14-22-54(46-74(4,5)6)70(58)78-72(60)66;1-39-31-40(2)34-47(33-39)67(57-21-13-19-51-49-17-11-15-45(37-65(5,6)7)61(49)69-63(51)57)55-29-25-43-24-28-54-56(30-26-44-23-27-53(55)59(43)60(44)54)68(48-35-41(3)32-42(4)36-48)58-22-14-20-52-50-18-12-16-46(38-66(8,9)10)62(50)70-64(52)58;1-39-23-25-41(3)57(35-39)67(55-21-13-19-49-47-17-11-15-45(37-65(5,6)7)61(47)69-63(49)55)53-33-29-43-28-32-52-54(34-30-44-27-31-51(53)59(43)60(44)52)68(58-36-40(2)24-26-42(58)4)56-22-14-20-50-48-18-12-16-46(38-66(8,9)10)62(48)70-64(50)56/h2*7-44H,45-46H2,1-6H3;2*11-36H,37-38H2,1-10H3.
What are the key properties of 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine has a molecular weight of 3845.05 g/mol, XLogP of 83.13, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).