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

C336H304N8O8 — CID 158836452

IUPAC3,8-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
SMILESCCc1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4CC)cccc23)cc1.CCc1cccc(Nc2c(-c3cc4c(C5CCCCC5)cc(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)c5ccc6c(C7CCCCC7)ccc3c6c45)ccc3c2oc2c(-c4ccccc4CC)cccc23)c1.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C)cc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccc(C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3cc(C4CCCCC4)c4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12
InChIInChI=1S/C86H80N2O2.2C84H76N2O2.C82H72N2O2/c1-7-55-25-15-17-35-63(55)67-37-21-39-69-71-41-23-43-77(85(71)89-83(67)69)87(61-33-19-31-59(49-61)53(3)4)79-51-75(57-27-11-9-12-28-57)65-46-48-74-80(52-76(58-29-13-10-14-30-58)66-45-47-73(79)81(65)82(66)74)88(62-34-20-32-60(50-62)54(5)6)78-44-24-42-72-70-40-22-38-68(84(70)90-86(72)78)64-36-18-16-26-56(64)8-2;1-5-52-24-19-32-58(48-52)85-80-65(45-46-71-69-39-22-37-67(82(69)88-84(71)80)61-35-18-16-27-55(61)8-4)74-50-75-73(57-30-13-10-14-31-57)51-77(72-47-44-63-62(56-28-11-9-12-29-56)42-43-64(74)78(63)79(72)75)86(59-33-20-25-53(6-2)49-59)76-41-23-40-70-68-38-21-36-66(81(68)87-83(70)76)60-34-17-15-26-54(60)7-3;1-5-53-39-43-59(44-40-53)85(75-37-21-35-69-67-33-19-31-65(81(67)87-83(69)75)61-29-17-15-23-55(61)7-3)77-51-73(57-25-11-9-12-26-57)63-48-50-72-78(52-74(58-27-13-10-14-28-58)64-47-49-71(77)79(63)80(64)72)86(60-45-41-54(6-2)42-46-60)76-38-22-36-70-68-34-20-32-66(82(68)88-84(70)76)62-30-18-16-24-56(62)8-4;1-5-53-21-13-15-27-59(53)63-29-17-31-65-67-33-19-35-73(81(67)85-79(63)65)83(57-41-37-51(3)38-42-57)75-49-71(55-23-9-7-10-24-55)61-46-48-70-76(50-72(56-25-11-8-12-26-56)62-45-47-69(75)77(61)78(62)70)84(58-43-39-52(4)40-44-58)74-36-20-34-68-66-32-18-30-64(80(66)86-82(68)74)60-28-16-14-22-54(60)6-2/h15-26,31-54,57-58H,7-14,27-30H2,1-6H3;15-27,32-51,56-57,85H,5-14,28-31H2,1-4H3;15-24,29-52,57-58H,5-14,25-28H2,1-4H3;13-22,27-50,55-56H,5-12,23-26H2,1-4H3
InChIKeyIXRVEGBTUGGDRW-UHFFFAOYSA-N
MW4582.18 g/mol
LogP100.56
Rot. Bonds54

About 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

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 (PubChem CID 158836452) has the molecular formula C336H304N8O8 and a molecular weight of 4582.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,8-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
PubChem CID158836452
Molecular FormulaC336H304N8O8
Molecular Weight4582.18 g/mol
Exact Mass4578.36
IUPAC Name3,8-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
SMILESCCc1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4CC)cccc23)cc1.CCc1cccc(Nc2c(-c3cc4c(C5CCCCC5)cc(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)c5ccc6c(C7CCCCC7)ccc3c6c45)ccc3c2oc2c(-c4ccccc4CC)cccc23)c1.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C)cc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccc(C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3cc(C4CCCCC4)c4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12
InChIInChI=1S/C86H80N2O2.2C84H76N2O2.C82H72N2O2/c1-7-55-25-15-17-35-63(55)67-37-21-39-69-71-41-23-43-77(85(71)89-83(67)69)87(61-33-19-31-59(49-61)53(3)4)79-51-75(57-27-11-9-12-28-57)65-46-48-74-80(52-76(58-29-13-10-14-30-58)66-45-47-73(79)81(65)82(66)74)88(62-34-20-32-60(50-62)54(5)6)78-44-24-42-72-70-40-22-38-68(84(70)90-86(72)78)64-36-18-16-26-56(64)8-2;1-5-52-24-19-32-58(48-52)85-80-65(45-46-71-69-39-22-37-67(82(69)88-84(71)80)61-35-18-16-27-55(61)8-4)74-50-75-73(57-30-13-10-14-31-57)51-77(72-47-44-63-62(56-28-11-9-12-29-56)42-43-64(74)78(63)79(72)75)86(59-33-20-25-53(6-2)49-59)76-41-23-40-70-68-38-21-36-66(81(68)87-83(70)76)60-34-17-15-26-54(60)7-3;1-5-53-39-43-59(44-40-53)85(75-37-21-35-69-67-33-19-31-65(81(67)87-83(69)75)61-29-17-15-23-55(61)7-3)77-51-73(57-25-11-9-12-26-57)63-48-50-72-78(52-74(58-27-13-10-14-28-58)64-47-49-71(77)79(63)80(64)72)86(60-45-41-54(6-2)42-46-60)76-38-22-36-70-68-34-20-32-66(82(68)88-84(70)76)62-30-18-16-24-56(62)8-4;1-5-53-21-13-15-27-59(53)63-29-17-31-65-67-33-19-35-73(81(67)85-79(63)65)83(57-41-37-51(3)38-42-57)75-49-71(55-23-9-7-10-24-55)61-46-48-70-76(50-72(56-25-11-8-12-26-56)62-45-47-69(75)77(61)78(62)70)84(58-43-39-52(4)40-44-58)74-36-20-34-68-66-32-18-30-64(80(66)86-82(68)74)60-28-16-14-22-54(60)6-2/h15-26,31-54,57-58H,7-14,27-30H2,1-6H3;15-27,32-51,56-57,85H,5-14,28-31H2,1-4H3;15-24,29-52,57-58H,5-14,25-28H2,1-4H3;13-22,27-50,55-56H,5-12,23-26H2,1-4H3
InChIKeyIXRVEGBTUGGDRW-UHFFFAOYSA-N
XLogP100.56
TPSA139.83 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004582.18
LogP ≤ 5100.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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(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
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(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
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
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,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(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-cyclohexyldibenzofuran-4-yl)-1-N-[4-(iodomethyl)phenyl]-6-N-(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144918952
3,8-dicyclohexyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 143848119

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4CC)cccc23)cc1.CCc1cccc(Nc2c(-c3cc4c(C5CCCCC5)cc(N(c5cccc(CC)c5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)c5ccc6c(C7CCCCC7)ccc3c6c45)ccc3c2oc2c(-c4ccccc4CC)cccc23)c1.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C)cc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccc(C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3cc(C4CCCCC4)c4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.
What is the InChIKey of 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?
The InChIKey is IXRVEGBTUGGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H80N2O2.2C84H76N2O2.C82H72N2O2/c1-7-55-25-15-17-35-63(55)67-37-21-39-69-71-41-23-43-77(85(71)89-83(67)69)87(61-33-19-31-59(49-61)53(3)4)79-51-75(57-27-11-9-12-28-57)65-46-48-74-80(52-76(58-29-13-10-14-30-58)66-45-47-73(79)81(65)82(66)74)88(62-34-20-32-60(50-62)54(5)6)78-44-24-42-72-70-40-22-38-68(84(70)90-86(72)78)64-36-18-16-26-56(64)8-2;1-5-52-24-19-32-58(48-52)85-80-65(45-46-71-69-39-22-37-67(82(69)88-84(71)80)61-35-18-16-27-55(61)8-4)74-50-75-73(57-30-13-10-14-31-57)51-77(72-47-44-63-62(56-28-11-9-12-29-56)42-43-64(74)78(63)79(72)75)86(59-33-20-25-53(6-2)49-59)76-41-23-40-70-68-38-21-36-66(81(68)87-83(70)76)60-34-17-15-26-54(60)7-3;1-5-53-39-43-59(44-40-53)85(75-37-21-35-69-67-33-19-31-65(81(67)87-83(69)75)61-29-17-15-23-55(61)7-3)77-51-73(57-25-11-9-12-26-57)63-48-50-72-78(52-74(58-27-13-10-14-28-58)64-47-49-71(77)79(63)80(64)72)86(60-45-41-54(6-2)42-46-60)76-38-22-36-70-68-34-20-32-66(82(68)88-84(70)76)62-30-18-16-24-56(62)8-4;1-5-53-21-13-15-27-59(53)63-29-17-31-65-67-33-19-35-73(81(67)85-79(63)65)83(57-41-37-51(3)38-42-57)75-49-71(55-23-9-7-10-24-55)61-46-48-70-76(50-72(56-25-11-8-12-26-56)62-45-47-69(75)77(61)78(62)70)84(58-43-39-52(4)40-44-58)74-36-20-34-68-66-32-18-30-64(80(66)86-82(68)74)60-28-16-14-22-54(60)6-2/h15-26,31-54,57-58H,7-14,27-30H2,1-6H3;15-27,32-51,56-57,85H,5-14,28-31H2,1-4H3;15-24,29-52,57-58H,5-14,25-28H2,1-4H3;13-22,27-50,55-56H,5-12,23-26H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 4582.18 g/mol, XLogP of 100.56, 54 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158836452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).