1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C272H248N8O8 — CID 158198718

IUPAC1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)c1
InChIInChI=1S/C72H68N2O2.C70H64N2O2.C68H64N2O2.C62H52N2O2/c1-43(2)61-41-65(73(49-25-13-19-45(5)39-49)63-33-17-31-57-55-29-15-27-51(69(55)75-71(57)63)47-21-9-7-10-22-47)59-38-36-54-62(44(3)4)42-66(60-37-35-53(61)67(59)68(54)60)74(50-26-14-20-46(6)40-50)64-34-18-32-58-56-30-16-28-52(70(56)76-72(58)64)48-23-11-8-12-24-48;1-41(2)59-39-63(71(47-23-11-17-43(5)37-47)61-31-15-29-55-53-27-13-25-49(45-19-7-8-20-45)67(53)73-69(55)61)57-36-34-52-60(42(3)4)40-64(58-35-33-51(59)65(57)66(52)58)72(48-24-12-18-44(6)38-48)62-32-16-30-56-54-28-14-26-50(46-21-9-10-22-46)68(54)74-70(56)62;1-39(2)53-37-59(69(43-21-13-19-41(5)35-43)57-29-17-25-49-47-23-15-27-55(67(7,8)9)63(47)71-65(49)57)51-34-32-46-54(40(3)4)38-60(52-33-31-45(53)61(51)62(46)52)70(44-22-14-20-42(6)36-44)58-30-18-26-50-48-24-16-28-56(68(10,11)12)64(48)72-66(50)58;1-35(2)51-33-55(63(41-19-9-15-37(5)31-41)53-25-13-23-47-45-21-11-17-39(7)59(45)65-61(47)53)49-30-28-44-52(36(3)4)34-56(50-29-27-43(51)57(49)58(44)50)64(42-20-10-16-38(6)32-42)54-26-14-24-48-46-22-12-18-40(8)60(46)66-62(48)54/h13-20,25-44,47-48H,7-12,21-24H2,1-6H3;11-18,23-42,45-46H,7-10,19-22H2,1-6H3;13-40H,1-12H3;9-36H,1-8H3
InChIKeyGAQYHZIFJNIWBX-UHFFFAOYSA-N
MW3757.02 g/mol
LogP83.37
Rot. Bonds36

About 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-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-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 158198718) has the molecular formula C272H248N8O8 and a molecular weight of 3757.02 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID158198718
Molecular FormulaC272H248N8O8
Molecular Weight3757.02 g/mol
Exact Mass3753.92
IUPAC Name1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)c1
InChIInChI=1S/C72H68N2O2.C70H64N2O2.C68H64N2O2.C62H52N2O2/c1-43(2)61-41-65(73(49-25-13-19-45(5)39-49)63-33-17-31-57-55-29-15-27-51(69(55)75-71(57)63)47-21-9-7-10-22-47)59-38-36-54-62(44(3)4)42-66(60-37-35-53(61)67(59)68(54)60)74(50-26-14-20-46(6)40-50)64-34-18-32-58-56-30-16-28-52(70(56)76-72(58)64)48-23-11-8-12-24-48;1-41(2)59-39-63(71(47-23-11-17-43(5)37-47)61-31-15-29-55-53-27-13-25-49(45-19-7-8-20-45)67(53)73-69(55)61)57-36-34-52-60(42(3)4)40-64(58-35-33-51(59)65(57)66(52)58)72(48-24-12-18-44(6)38-48)62-32-16-30-56-54-28-14-26-50(46-21-9-10-22-46)68(54)74-70(56)62;1-39(2)53-37-59(69(43-21-13-19-41(5)35-43)57-29-17-25-49-47-23-15-27-55(67(7,8)9)63(47)71-65(49)57)51-34-32-46-54(40(3)4)38-60(52-33-31-45(53)61(51)62(46)52)70(44-22-14-20-42(6)36-44)58-30-18-26-50-48-24-16-28-56(68(10,11)12)64(48)72-66(50)58;1-35(2)51-33-55(63(41-19-9-15-37(5)31-41)53-25-13-23-47-45-21-11-17-39(7)59(45)65-61(47)53)49-30-28-44-52(36(3)4)34-56(50-29-27-43(51)57(49)58(44)50)64(42-20-10-16-38(6)32-42)54-26-14-24-48-46-22-12-18-40(8)60(46)66-62(48)54/h13-20,25-44,47-48H,7-12,21-24H2,1-6H3;11-18,23-42,45-46H,7-10,19-22H2,1-6H3;13-40H,1-12H3;9-36H,1-8H3
InChIKeyGAQYHZIFJNIWBX-UHFFFAOYSA-N
XLogP83.37
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003757.02
LogP ≤ 583.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-3,8-dicyclohexyl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 158281555
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-(iodomethyl)phenyl]-6-N-(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144918952
1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158424136
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 162104018
CID 163469491
CID 163469491
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 160963441
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-cyclopentylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 160974099
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-cyclohexylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3,4-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-methylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-methylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-propan-2-ylphenyl)-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 158386365
1-N,6-N-bis(4-cyclohexylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
CID 160893789
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297491
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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-cyclopentyldibenzofuran-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
CID 159568171
4-N,20-N-bis(6-cyclohexyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 158493634

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 158198718) is 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C(C)(C)C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1cccc(N(c2cc(C(C)C)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCCC7)cccc56)cc(C(C)C)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)c1.
What is the InChIKey of 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is GAQYHZIFJNIWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68N2O2.C70H64N2O2.C68H64N2O2.C62H52N2O2/c1-43(2)61-41-65(73(49-25-13-19-45(5)39-49)63-33-17-31-57-55-29-15-27-51(69(55)75-71(57)63)47-21-9-7-10-22-47)59-38-36-54-62(44(3)4)42-66(60-37-35-53(61)67(59)68(54)60)74(50-26-14-20-46(6)40-50)64-34-18-32-58-56-30-16-28-52(70(56)76-72(58)64)48-23-11-8-12-24-48;1-41(2)59-39-63(71(47-23-11-17-43(5)37-47)61-31-15-29-55-53-27-13-25-49(45-19-7-8-20-45)67(53)73-69(55)61)57-36-34-52-60(42(3)4)40-64(58-35-33-51(59)65(57)66(52)58)72(48-24-12-18-44(6)38-48)62-32-16-30-56-54-28-14-26-50(46-21-9-10-22-46)68(54)74-70(56)62;1-39(2)53-37-59(69(43-21-13-19-41(5)35-43)57-29-17-25-49-47-23-15-27-55(67(7,8)9)63(47)71-65(49)57)51-34-32-46-54(40(3)4)38-60(52-33-31-45(53)61(51)62(46)52)70(44-22-14-20-42(6)36-44)58-30-18-26-50-48-24-16-28-56(68(10,11)12)64(48)72-66(50)58;1-35(2)51-33-55(63(41-19-9-15-37(5)31-41)53-25-13-23-47-45-21-11-17-39(7)59(45)65-61(47)53)49-30-28-44-52(36(3)4)34-56(50-29-27-43(51)57(49)58(44)50)64(42-20-10-16-38(6)32-42)54-26-14-24-48-46-22-12-18-40(8)60(46)66-62(48)54/h13-20,25-44,47-48H,7-12,21-24H2,1-6H3;11-18,23-42,45-46H,7-10,19-22H2,1-6H3;13-40H,1-12H3;9-36H,1-8H3.
What are the key properties of 1-N,6-N-bis(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-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-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 3757.02 g/mol, XLogP of 83.37, 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(6-tert-butyldibenzofuran-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-cyclohexyldibenzofuran-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-cyclopentyldibenzofuran-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-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 158198718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).