12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine

C353H240N10O14 — CID 163677288

IUPAC12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)cccc12.Cc1cccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4cccc(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c(c6c4oc4ccccc46)-c4c(cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4ccccc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C85H52N2O4.C81H60N2O4.2C63H44N2O2.C61H40N2O2/c1-7-27-53(28-8-1)59-41-23-43-61-63-45-25-47-69(81(63)90-79(59)61)86(57-35-15-5-16-36-57)71-51-68-78(84-75(71)65-39-19-21-49-73(65)89-84)77-67(85(68,55-31-11-3-12-32-55)56-33-13-4-14-34-56)52-72(83-76(77)66-40-20-22-50-74(66)88-83)87(58-37-17-6-18-38-58)70-48-26-46-64-62-44-24-42-60(80(62)91-82(64)70)54-29-9-2-10-30-54;1-79(2,3)59-41-23-37-53-55-39-25-43-63(75(55)86-73(53)59)82(51-31-15-9-16-32-51)65-47-62-72(78-69(65)57-35-19-21-45-67(57)85-78)71-61(81(62,49-27-11-7-12-28-49)50-29-13-8-14-30-50)48-66(77-70(71)58-36-20-22-46-68(58)84-77)83(52-33-17-10-18-34-52)64-44-26-40-56-54-38-24-42-60(80(4,5)6)74(54)87-76(56)64;1-41-23-15-19-35-51(41)64(45-29-11-5-12-30-45)53-39-49-59(61-57(53)47-33-17-21-37-55(47)66-61)60-50(63(49,43-25-7-3-8-26-43)44-27-9-4-10-28-44)40-54(58-48-34-18-22-38-56(48)67-62(58)60)65(46-31-13-6-14-32-46)52-36-20-16-24-42(52)2;1-41-21-19-31-47(37-41)64(45-27-11-5-12-28-45)53-39-51-59(61-57(53)49-33-15-17-35-55(49)66-61)60-52(63(51,43-23-7-3-8-24-43)44-25-9-4-10-26-44)40-54(58-50-34-16-18-36-56(50)67-62(58)60)65(46-29-13-6-14-30-46)48-32-20-22-42(2)38-48;1-7-23-41(24-8-1)61(42-25-9-2-10-26-42)49-39-51(62(43-27-11-3-12-28-43)44-29-13-4-14-30-44)55-47-35-19-21-37-53(47)64-59(55)57(49)58-50(61)40-52(56-48-36-20-22-38-54(48)65-60(56)58)63(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-52H;7-48H,1-6H3;2*3-40H,1-2H3;1-40H
InChIKeyJHTRUPQXCFIVTJ-UHFFFAOYSA-N
MW4845.86 g/mol
LogP98.70
Rot. Bonds42

About 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine

12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 163677288) has the molecular formula C353H240N10O14 and a molecular weight of 4845.86 g/mol. Its IUPAC name is 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

Molecular Properties

Compound Name12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
PubChem CID163677288
Molecular FormulaC353H240N10O14
Molecular Weight4845.86 g/mol
Exact Mass4841.84
IUPAC Name12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)cccc12.Cc1cccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4cccc(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c(c6c4oc4ccccc46)-c4c(cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4ccccc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C85H52N2O4.C81H60N2O4.2C63H44N2O2.C61H40N2O2/c1-7-27-53(28-8-1)59-41-23-43-61-63-45-25-47-69(81(63)90-79(59)61)86(57-35-15-5-16-36-57)71-51-68-78(84-75(71)65-39-19-21-49-73(65)89-84)77-67(85(68,55-31-11-3-12-32-55)56-33-13-4-14-34-56)52-72(83-76(77)66-40-20-22-50-74(66)88-83)87(58-37-17-6-18-38-58)70-48-26-46-64-62-44-24-42-60(80(62)91-82(64)70)54-29-9-2-10-30-54;1-79(2,3)59-41-23-37-53-55-39-25-43-63(75(55)86-73(53)59)82(51-31-15-9-16-32-51)65-47-62-72(78-69(65)57-35-19-21-45-67(57)85-78)71-61(81(62,49-27-11-7-12-28-49)50-29-13-8-14-30-50)48-66(77-70(71)58-36-20-22-46-68(58)84-77)83(52-33-17-10-18-34-52)64-44-26-40-56-54-38-24-42-60(80(4,5)6)74(54)87-76(56)64;1-41-23-15-19-35-51(41)64(45-29-11-5-12-30-45)53-39-49-59(61-57(53)47-33-17-21-37-55(47)66-61)60-50(63(49,43-25-7-3-8-26-43)44-27-9-4-10-28-44)40-54(58-48-34-18-22-38-56(48)67-62(58)60)65(46-31-13-6-14-32-46)52-36-20-16-24-42(52)2;1-41-21-19-31-47(37-41)64(45-27-11-5-12-28-45)53-39-51-59(61-57(53)49-33-15-17-35-55(49)66-61)60-52(63(51,43-23-7-3-8-24-43)44-25-9-4-10-26-44)40-54(58-50-34-16-18-36-56(50)67-62(58)60)65(46-29-13-6-14-30-46)48-32-20-22-42(2)38-48;1-7-23-41(24-8-1)61(42-25-9-2-10-26-42)49-39-51(62(43-27-11-3-12-28-43)44-29-13-4-14-30-44)55-47-35-19-21-37-53(47)64-59(55)57(49)58-50(61)40-52(56-48-36-20-22-38-54(48)65-60(56)58)63(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-52H;7-48H,1-6H3;2*3-40H,1-2H3;1-40H
InChIKeyJHTRUPQXCFIVTJ-UHFFFAOYSA-N
XLogP98.70
TPSA216.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms377
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004845.86
LogP ≤ 598.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine with MolForge

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What is the IUPAC name of 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The IUPAC name of 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 163677288) is 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.
What is the SMILES notation for 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The canonical SMILES for 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)cccc12.Cc1cccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4cccc(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c(c6c4oc4ccccc46)-c4c(cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4ccccc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The InChIKey is JHTRUPQXCFIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N2O4.C81H60N2O4.2C63H44N2O2.C61H40N2O2/c1-7-27-53(28-8-1)59-41-23-43-61-63-45-25-47-69(81(63)90-79(59)61)86(57-35-15-5-16-36-57)71-51-68-78(84-75(71)65-39-19-21-49-73(65)89-84)77-67(85(68,55-31-11-3-12-32-55)56-33-13-4-14-34-56)52-72(83-76(77)66-40-20-22-50-74(66)88-83)87(58-37-17-6-18-38-58)70-48-26-46-64-62-44-24-42-60(80(62)91-82(64)70)54-29-9-2-10-30-54;1-79(2,3)59-41-23-37-53-55-39-25-43-63(75(55)86-73(53)59)82(51-31-15-9-16-32-51)65-47-62-72(78-69(65)57-35-19-21-45-67(57)85-78)71-61(81(62,49-27-11-7-12-28-49)50-29-13-8-14-30-50)48-66(77-70(71)58-36-20-22-46-68(58)84-77)83(52-33-17-10-18-34-52)64-44-26-40-56-54-38-24-42-60(80(4,5)6)74(54)87-76(56)64;1-41-23-15-19-35-51(41)64(45-29-11-5-12-30-45)53-39-49-59(61-57(53)47-33-17-21-37-55(47)66-61)60-50(63(49,43-25-7-3-8-26-43)44-27-9-4-10-28-44)40-54(58-48-34-18-22-38-56(48)67-62(58)60)65(46-31-13-6-14-32-46)52-36-20-16-24-42(52)2;1-41-21-19-31-47(37-41)64(45-27-11-5-12-28-45)53-39-51-59(61-57(53)49-33-15-17-35-55(49)66-61)60-52(63(51,43-23-7-3-8-24-43)44-25-9-4-10-26-44)40-54(58-50-34-16-18-36-56(50)67-62(58)60)65(46-29-13-6-14-30-46)48-32-20-22-42(2)38-48;1-7-23-41(24-8-1)61(42-25-9-2-10-26-42)49-39-51(62(43-27-11-3-12-28-43)44-29-13-4-14-30-44)55-47-35-19-21-37-53(47)64-59(55)57(49)58-50(61)40-52(56-48-36-20-22-38-54(48)65-60(56)58)63(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-52H;7-48H,1-6H3;2*3-40H,1-2H3;1-40H.
What are the key properties of 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine has a molecular weight of 4845.86 g/mol, XLogP of 98.70, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 163677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).