12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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

C274H218F2N8O8 — CID 159831191

IUPAC12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc(C)c1C.Cc1ccc(C)c(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4C)c4cc(C)ccc4C)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Fc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3F)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/2C73H64N2O2.C67H52N2O2.C61H38F2N2O2/c1-41-31-55(32-42(2)49(41)9)74(56-33-43(3)50(10)44(4)34-56)63-39-61-69(71-67(63)59-27-19-21-29-65(59)76-71)70-62(73(61,53-23-15-13-16-24-53)54-25-17-14-18-26-54)40-64(68-60-28-20-22-30-66(60)77-72(68)70)75(57-35-45(5)51(11)46(6)36-57)58-37-47(7)52(12)48(8)38-58;1-45(2)49-27-35-55(36-28-49)74(56-37-29-50(30-38-56)46(3)4)63-43-61-69(71-67(63)59-23-15-17-25-65(59)76-71)70-62(73(61,53-19-11-9-12-20-53)54-21-13-10-14-22-54)44-64(68-60-24-16-18-26-66(60)77-72(68)70)75(57-39-31-51(32-40-57)47(5)6)58-41-33-52(34-42-58)48(7)8;1-41-33-35-45(5)55(37-41)68(53-29-17-13-21-43(53)3)57-39-51-63(65-61(57)49-27-15-19-31-59(49)70-65)64-52(67(51,47-23-9-7-10-24-47)48-25-11-8-12-26-48)40-58(62-50-28-16-20-32-60(50)71-66(62)64)69(54-30-18-14-22-44(54)4)56-38-42(2)34-36-46(56)6;62-47-31-15-17-33-49(47)64(41-25-9-3-10-26-41)51-37-45-57(59-55(51)43-29-13-19-35-53(43)66-59)58-46(61(45,39-21-5-1-6-22-39)40-23-7-2-8-24-40)38-52(56-44-30-14-20-36-54(44)67-60(56)58)65(42-27-11-4-12-28-42)50-34-18-16-32-48(50)63/h13-40H,1-12H3;9-48H,1-8H3;7-40H,1-6H3;1-38H
InChIKeyNNMFGBLCRWELTN-UHFFFAOYSA-N
MW3788.80 g/mol
LogP77.48
Rot. Bonds36

About 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 (PubChem CID 159831191) has the molecular formula C274H218F2N8O8 and a molecular weight of 3788.80 g/mol. Its IUPAC name is 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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.

Molecular Properties

Compound Name12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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
PubChem CID159831191
Molecular FormulaC274H218F2N8O8
Molecular Weight3788.80 g/mol
Exact Mass3785.69
IUPAC Name12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc(C)c1C.Cc1ccc(C)c(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4C)c4cc(C)ccc4C)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Fc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3F)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/2C73H64N2O2.C67H52N2O2.C61H38F2N2O2/c1-41-31-55(32-42(2)49(41)9)74(56-33-43(3)50(10)44(4)34-56)63-39-61-69(71-67(63)59-27-19-21-29-65(59)76-71)70-62(73(61,53-23-15-13-16-24-53)54-25-17-14-18-26-54)40-64(68-60-28-20-22-30-66(60)77-72(68)70)75(57-35-45(5)51(11)46(6)36-57)58-37-47(7)52(12)48(8)38-58;1-45(2)49-27-35-55(36-28-49)74(56-37-29-50(30-38-56)46(3)4)63-43-61-69(71-67(63)59-23-15-17-25-65(59)76-71)70-62(73(61,53-19-11-9-12-20-53)54-21-13-10-14-22-54)44-64(68-60-24-16-18-26-66(60)77-72(68)70)75(57-39-31-51(32-40-57)47(5)6)58-41-33-52(34-42-58)48(7)8;1-41-33-35-45(5)55(37-41)68(53-29-17-13-21-43(53)3)57-39-51-63(65-61(57)49-27-15-19-31-59(49)70-65)64-52(67(51,47-23-9-7-10-24-47)48-25-11-8-12-26-48)40-58(62-50-28-16-20-32-60(50)71-66(62)64)69(54-30-18-14-22-44(54)4)56-38-42(2)34-36-46(56)6;62-47-31-15-17-33-49(47)64(41-25-9-3-10-26-41)51-37-45-57(59-55(51)43-29-13-19-35-53(43)66-59)58-46(61(45,39-21-5-1-6-22-39)40-23-7-2-8-24-40)38-52(56-44-30-14-20-36-54(44)67-60(56)58)65(42-27-11-4-12-28-42)50-34-18-16-32-48(50)63/h13-40H,1-12H3;9-48H,1-8H3;7-40H,1-6H3;1-38H
InChIKeyNNMFGBLCRWELTN-UHFFFAOYSA-N
XLogP77.48
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms292
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003788.80
LogP ≤ 577.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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?
The IUPAC name of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 (CID 159831191) is 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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.
What is the SMILES notation for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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?
The canonical SMILES for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc(C)c1C.Cc1ccc(C)c(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4C)c4cc(C)ccc4C)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Fc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1c(cc(N(c3ccccc3)c3ccccc3F)c3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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?
The InChIKey is NNMFGBLCRWELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H64N2O2.C67H52N2O2.C61H38F2N2O2/c1-41-31-55(32-42(2)49(41)9)74(56-33-43(3)50(10)44(4)34-56)63-39-61-69(71-67(63)59-27-19-21-29-65(59)76-71)70-62(73(61,53-23-15-13-16-24-53)54-25-17-14-18-26-54)40-64(68-60-28-20-22-30-66(60)77-72(68)70)75(57-35-45(5)51(11)46(6)36-57)58-37-47(7)52(12)48(8)38-58;1-45(2)49-27-35-55(36-28-49)74(56-37-29-50(30-38-56)46(3)4)63-43-61-69(71-67(63)59-23-15-17-25-65(59)76-71)70-62(73(61,53-19-11-9-12-20-53)54-21-13-10-14-22-54)44-64(68-60-24-16-18-26-66(60)77-72(68)70)75(57-39-31-51(32-40-57)47(5)6)58-41-33-52(34-42-58)48(7)8;1-41-33-35-45(5)55(37-41)68(53-29-17-13-21-43(53)3)57-39-51-63(65-61(57)49-27-15-19-31-59(49)70-65)64-52(67(51,47-23-9-7-10-24-47)48-25-11-8-12-26-48)40-58(62-50-28-16-20-32-60(50)71-66(62)64)69(54-30-18-14-22-44(54)4)56-38-42(2)34-36-46(56)6;62-47-31-15-17-33-49(47)64(41-25-9-3-10-26-41)51-37-45-57(59-55(51)43-29-13-19-35-53(43)66-59)58-46(61(45,39-21-5-1-6-22-39)40-23-7-2-8-24-40)38-52(56-44-30-14-20-36-54(44)67-60(56)58)65(42-27-11-4-12-28-42)50-34-18-16-32-48(50)63/h13-40H,1-12H3;9-48H,1-8H3;7-40H,1-6H3;1-38H.
What are the key properties of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 has a molecular weight of 3788.80 g/mol, XLogP of 77.48, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-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(2-fluorophenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-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;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-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 is sourced from PubChem (CID 159831191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).