1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine

C336H304N8O8 — CID 158957710

IUPAC1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
SMILESCCc1ccccc1-c1cccc2c1oc1c(N(c3c(C)cccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6c(C)cccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cc(C)ccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6cc(C)ccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3cc(C4CCCC4)c4ccc5c(N(c6ccc(C(C)(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)(C)C)c3)c3cc(C4CCCC4)c4ccc5c(N(c6cccc(C(C)(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12
InChIInChI=1S/2C86H80N2O2.2C82H72N2O2/c1-9-53-25-15-17-35-61(53)65-37-21-39-67-69-41-23-43-75(83(69)89-81(65)67)87(59-33-19-31-57(49-59)85(3,4)5)77-51-73(55-27-11-12-28-55)63-46-48-72-78(52-74(56-29-13-14-30-56)64-45-47-71(77)79(63)80(64)72)88(60-34-20-32-58(50-60)86(6,7)8)76-44-24-42-70-68-40-22-38-66(82(68)90-84(70)76)62-36-18-16-26-54(62)10-2;1-9-53-23-15-17-29-61(53)65-31-19-33-67-69-35-21-37-75(83(69)89-81(65)67)87(59-43-39-57(40-44-59)85(3,4)5)77-51-73(55-25-11-12-26-55)63-48-50-72-78(52-74(56-27-13-14-28-56)64-47-49-71(77)79(63)80(64)72)88(60-45-41-58(42-46-60)86(6,7)8)76-38-22-36-70-68-34-20-32-66(82(68)90-84(70)76)62-30-18-16-24-54(62)10-2;1-7-53-27-13-15-33-57(53)61-35-19-37-63-65-39-21-41-71(81(65)85-79(61)63)83(77-49(3)23-17-24-50(77)4)73-47-69(55-29-9-10-30-55)59-44-46-68-74(48-70(56-31-11-12-32-56)60-43-45-67(73)75(59)76(60)68)84(78-51(5)25-18-26-52(78)6)72-42-22-40-66-64-38-20-36-62(80(64)86-82(66)72)58-34-16-14-28-54(58)8-2;1-7-53-21-13-15-27-57(53)61-29-17-31-63-65-33-19-35-71(81(65)85-79(61)63)83(73-45-49(3)37-39-51(73)5)75-47-69(55-23-9-10-24-55)59-42-44-68-76(48-70(56-25-11-12-26-56)60-41-43-67(75)77(59)78(60)68)84(74-46-50(4)38-40-52(74)6)72-36-20-34-66-64-32-18-30-62(80(64)86-82(66)72)58-28-16-14-22-54(58)8-2/h15-26,31-52,55-56H,9-14,27-30H2,1-8H3;15-24,29-52,55-56H,9-14,25-28H2,1-8H3;13-28,33-48,55-56H,7-12,29-32H2,1-6H3;13-22,27-48,55-56H,7-12,23-26H2,1-6H3
InChIKeyJMFIPPGRYIFETE-UHFFFAOYSA-N
MW4582.18 g/mol
LogP100.04
Rot. Bonds48

About 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine

1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine (PubChem CID 158957710) has the molecular formula C336H304N8O8 and a molecular weight of 4582.18 g/mol. Its IUPAC name is 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
PubChem CID158957710
Molecular FormulaC336H304N8O8
Molecular Weight4582.18 g/mol
Exact Mass4578.36
IUPAC Name1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine
SMILESCCc1ccccc1-c1cccc2c1oc1c(N(c3c(C)cccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6c(C)cccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cc(C)ccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6cc(C)ccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3cc(C4CCCC4)c4ccc5c(N(c6ccc(C(C)(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)(C)C)c3)c3cc(C4CCCC4)c4ccc5c(N(c6cccc(C(C)(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12
InChIInChI=1S/2C86H80N2O2.2C82H72N2O2/c1-9-53-25-15-17-35-61(53)65-37-21-39-67-69-41-23-43-75(83(69)89-81(65)67)87(59-33-19-31-57(49-59)85(3,4)5)77-51-73(55-27-11-12-28-55)63-46-48-72-78(52-74(56-29-13-14-30-56)64-45-47-71(77)79(63)80(64)72)88(60-34-20-32-58(50-60)86(6,7)8)76-44-24-42-70-68-40-22-38-66(82(68)90-84(70)76)62-36-18-16-26-54(62)10-2;1-9-53-23-15-17-29-61(53)65-31-19-33-67-69-35-21-37-75(83(69)89-81(65)67)87(59-43-39-57(40-44-59)85(3,4)5)77-51-73(55-25-11-12-26-55)63-48-50-72-78(52-74(56-27-13-14-28-56)64-47-49-71(77)79(63)80(64)72)88(60-45-41-58(42-46-60)86(6,7)8)76-38-22-36-70-68-34-20-32-66(82(68)90-84(70)76)62-30-18-16-24-54(62)10-2;1-7-53-27-13-15-33-57(53)61-35-19-37-63-65-39-21-41-71(81(65)85-79(61)63)83(77-49(3)23-17-24-50(77)4)73-47-69(55-29-9-10-30-55)59-44-46-68-74(48-70(56-31-11-12-32-56)60-43-45-67(73)75(59)76(60)68)84(78-51(5)25-18-26-52(78)6)72-42-22-40-66-64-38-20-36-62(80(64)86-82(66)72)58-34-16-14-28-54(58)8-2;1-7-53-21-13-15-27-57(53)61-29-17-31-63-65-33-19-35-71(81(65)85-79(61)63)83(73-45-49(3)37-39-51(73)5)75-47-69(55-23-9-10-24-55)59-42-44-68-76(48-70(56-25-11-12-26-56)60-41-43-67(75)77(59)78(60)68)84(74-46-50(4)38-40-52(74)6)72-36-20-34-66-64-32-18-30-62(80(64)86-82(66)72)58-28-16-14-22-54(58)8-2/h15-26,31-52,55-56H,9-14,27-30H2,1-8H3;15-24,29-52,55-56H,9-14,25-28H2,1-8H3;13-28,33-48,55-56H,7-12,29-32H2,1-6H3;13-22,27-48,55-56H,7-12,23-26H2,1-6H3
InChIKeyJMFIPPGRYIFETE-UHFFFAOYSA-N
XLogP100.04
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004582.18
LogP ≤ 5100.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-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

3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)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-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane
CID 159691661
3,8-dicyclopentyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)pyrene-1,6-diamine
CID 121274506
1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;3-[1,6-dicyclopentyl-8-(3-ethyl-N-[6-(2-ethylphenyl)dibenzofuran-4-yl]anilino)pyren-4-yl]-6-(2-ethylphenyl)-N-(3-ethylphenyl)dibenzofuran-4-amine
CID 159373474
3-[1,6-dicyclopentyl-8-(3-ethyl-N-[6-(2-ethylphenyl)dibenzofuran-4-yl]anilino)pyren-4-yl]-6-(2-ethylphenyl)-N-(3-ethylphenyl)dibenzofuran-4-amine
CID 134524451
2-(N-[3,8-dicyclohexyl-6-(4-ethyl-N-[6-(2-ethylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-4-ethylanilino)-6-[3-(2-ethylphenyl)phenyl]phenol
CID 129133478
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(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
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
2-(N-[3,8-dicyclohexyl-6-(N,3-dimethylanilino)pyren-1-yl]anilino)-6-[3-(2-methylphenyl)phenyl]phenol;4-(2-ethylphenyl)dibenzofuran
CID 144919212
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
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
2-(N-[3,8-dicyclohexyl-6-(3-ethyl-N-(6-phenyldibenzofuran-4-yl)anilino)pyren-1-yl]-3-ethylanilino)-6-[3-(2-methylphenyl)phenyl]phenol
CID 144919103

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine (CID 158957710) is 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine is CCc1ccccc1-c1cccc2c1oc1c(N(c3c(C)cccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6c(C)cccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cc(C)ccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6cc(C)ccc6C)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3cc(C4CCCC4)c4ccc5c(N(c6ccc(C(C)(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)(C)C)c3)c3cc(C4CCCC4)c4ccc5c(N(c6cccc(C(C)(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.
What is the InChIKey of 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
The InChIKey is JMFIPPGRYIFETE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C86H80N2O2.2C82H72N2O2/c1-9-53-25-15-17-35-61(53)65-37-21-39-67-69-41-23-43-75(83(69)89-81(65)67)87(59-33-19-31-57(49-59)85(3,4)5)77-51-73(55-27-11-12-28-55)63-46-48-72-78(52-74(56-29-13-14-30-56)64-45-47-71(77)79(63)80(64)72)88(60-34-20-32-58(50-60)86(6,7)8)76-44-24-42-70-68-40-22-38-66(82(68)90-84(70)76)62-36-18-16-26-54(62)10-2;1-9-53-23-15-17-29-61(53)65-31-19-33-67-69-35-21-37-75(83(69)89-81(65)67)87(59-43-39-57(40-44-59)85(3,4)5)77-51-73(55-25-11-12-26-55)63-48-50-72-78(52-74(56-27-13-14-28-56)64-47-49-71(77)79(63)80(64)72)88(60-45-41-58(42-46-60)86(6,7)8)76-38-22-36-70-68-34-20-32-66(82(68)90-84(70)76)62-30-18-16-24-54(62)10-2;1-7-53-27-13-15-33-57(53)61-35-19-37-63-65-39-21-41-71(81(65)85-79(61)63)83(77-49(3)23-17-24-50(77)4)73-47-69(55-29-9-10-30-55)59-44-46-68-74(48-70(56-31-11-12-32-56)60-43-45-67(73)75(59)76(60)68)84(78-51(5)25-18-26-52(78)6)72-42-22-40-66-64-38-20-36-62(80(64)86-82(66)72)58-34-16-14-28-54(58)8-2;1-7-53-21-13-15-27-57(53)61-29-17-31-63-65-33-19-35-71(81(65)85-79(61)63)83(73-45-49(3)37-39-51(73)5)75-47-69(55-23-9-10-24-55)59-42-44-68-76(48-70(56-25-11-12-26-56)60-41-43-67(75)77(59)78(60)68)84(74-46-50(4)38-40-52(74)6)72-36-20-34-66-64-32-18-30-62(80(64)86-82(66)72)58-28-16-14-22-54(58)8-2/h15-26,31-52,55-56H,9-14,27-30H2,1-8H3;15-24,29-52,55-56H,9-14,25-28H2,1-8H3;13-28,33-48,55-56H,7-12,29-32H2,1-6H3;13-22,27-48,55-56H,7-12,23-26H2,1-6H3.
What are the key properties of 1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine?
1-N,6-N-bis(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine has a molecular weight of 4582.18 g/mol, XLogP of 100.04, 48 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(3-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine is sourced from PubChem (CID 158957710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).