2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide

C277H465N49O12 — CID 158372338

IUPAC2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)ncn3)c2N)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3ncnc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)n3)c2N)c1.CCCCCCN(CCCCCC)C(=O)c1ccc(C(=O)N(CCCCCC)CCCCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CCCCCC)CCCCCC)ccc5C(=O)N(CCCCCC)CCCCCC)c4N)ncn3)c2N)c1
InChIInChI=1S/C98H166N16O4.C97H165N17O4.C82H134N16O4/c1-23-39-47-71(31-9)62-109(63-72(32-10)48-40-24-2)93(115)79-55-57-81(95(117)111(66-75(35-13)51-43-27-5)67-76(36-14)52-44-28-6)83(59-79)103-105-87-89(97(17,18)19)107-113(91(87)99)85-61-86(102-70-101-85)114-92(100)88(90(108-114)98(20,21)22)106-104-84-60-80(94(116)110(64-73(33-11)49-41-25-3)65-74(34-12)50-42-26-4)56-58-82(84)96(118)112(68-77(37-15)53-45-29-7)69-78(38-16)54-46-30-8;1-23-39-47-70(31-9)61-109(62-71(32-10)48-40-24-2)90(115)78-55-57-80(92(117)111(65-74(35-13)51-43-27-5)66-75(36-14)52-44-28-6)82(59-78)103-105-84-86(96(17,18)19)107-113(88(84)98)94-100-69-101-95(102-94)114-89(99)85(87(108-114)97(20,21)22)106-104-83-60-79(91(116)110(63-72(33-11)49-41-25-3)64-73(34-12)50-42-26-4)56-58-81(83)93(118)112(67-76(37-15)53-45-29-7)68-77(38-16)54-46-30-8;1-15-23-31-39-51-93(52-40-32-24-16-2)77(99)63-47-49-65(79(101)95(55-43-35-27-19-5)56-44-36-28-20-6)67(59-63)87-89-71-73(81(9,10)11)91-97(75(71)83)69-61-70(86-62-85-69)98-76(84)72(74(92-98)82(12,13)14)90-88-68-60-64(78(100)94(53-41-33-25-17-3)54-42-34-26-18-4)48-50-66(68)80(102)96(57-45-37-29-21-7)58-46-38-30-22-8/h55-61,70-78H,23-54,62-69,99-100H2,1-22H3;55-60,69-77H,23-54,61-68,98-99H2,1-22H3;47-50,59-62H,15-46,51-58,83-84H2,1-14H3/b2*105-103+,106-104+;89-87+,90-88+
InChIKeyGUTNQFTZILOIQI-NPTJSPGWSA-N
MW4674.10 g/mol
LogP75.12
Rot. Bonds166

About 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide

2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide (PubChem CID 158372338) has the molecular formula C277H465N49O12 and a molecular weight of 4674.10 g/mol. Its IUPAC name is 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide
PubChem CID158372338
Molecular FormulaC277H465N49O12
Molecular Weight4674.10 g/mol
Exact Mass4670.73
IUPAC Name2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)ncn3)c2N)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3ncnc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)n3)c2N)c1.CCCCCCN(CCCCCC)C(=O)c1ccc(C(=O)N(CCCCCC)CCCCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CCCCCC)CCCCCC)ccc5C(=O)N(CCCCCC)CCCCCC)c4N)ncn3)c2N)c1
InChIInChI=1S/C98H166N16O4.C97H165N17O4.C82H134N16O4/c1-23-39-47-71(31-9)62-109(63-72(32-10)48-40-24-2)93(115)79-55-57-81(95(117)111(66-75(35-13)51-43-27-5)67-76(36-14)52-44-28-6)83(59-79)103-105-87-89(97(17,18)19)107-113(91(87)99)85-61-86(102-70-101-85)114-92(100)88(90(108-114)98(20,21)22)106-104-84-60-80(94(116)110(64-73(33-11)49-41-25-3)65-74(34-12)50-42-26-4)56-58-82(84)96(118)112(68-77(37-15)53-45-29-7)69-78(38-16)54-46-30-8;1-23-39-47-70(31-9)61-109(62-71(32-10)48-40-24-2)90(115)78-55-57-80(92(117)111(65-74(35-13)51-43-27-5)66-75(36-14)52-44-28-6)82(59-78)103-105-84-86(96(17,18)19)107-113(88(84)98)94-100-69-101-95(102-94)114-89(99)85(87(108-114)97(20,21)22)106-104-83-60-79(91(116)110(63-72(33-11)49-41-25-3)64-73(34-12)50-42-26-4)56-58-81(83)93(118)112(67-76(37-15)53-45-29-7)68-77(38-16)54-46-30-8;1-15-23-31-39-51-93(52-40-32-24-16-2)77(99)63-47-49-65(79(101)95(55-43-35-27-19-5)56-44-36-28-20-6)67(59-63)87-89-71-73(81(9,10)11)91-97(75(71)83)69-61-70(86-62-85-69)98-76(84)72(74(92-98)82(12,13)14)90-88-68-60-64(78(100)94(53-41-33-25-17-3)54-42-34-26-18-4)48-50-66(68)80(102)96(57-45-37-29-21-7)58-46-38-30-22-8/h55-61,70-78H,23-54,62-69,99-100H2,1-22H3;55-60,69-77H,23-54,61-68,98-99H2,1-22H3;47-50,59-62H,15-46,51-58,83-84H2,1-14H3/b2*105-103+,106-104+;89-87+,90-88+
InChIKeyGUTNQFTZILOIQI-NPTJSPGWSA-N
XLogP75.12
TPSA745.31 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds166
Heavy Atoms338
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004674.10
LogP ≤ 575.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide (CID 158372338) is 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)ncn3)c2N)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3ncnc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)ccc5C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c4N)n3)c2N)c1.CCCCCCN(CCCCCC)C(=O)c1ccc(C(=O)N(CCCCCC)CCCCCC)c(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CCCCCC)CCCCCC)ccc5C(=O)N(CCCCCC)CCCCCC)c4N)ncn3)c2N)c1.
What is the InChIKey of 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide?
The InChIKey is GUTNQFTZILOIQI-NPTJSPGWSA-N. The full InChI is InChI=1S/C98H166N16O4.C97H165N17O4.C82H134N16O4/c1-23-39-47-71(31-9)62-109(63-72(32-10)48-40-24-2)93(115)79-55-57-81(95(117)111(66-75(35-13)51-43-27-5)67-76(36-14)52-44-28-6)83(59-79)103-105-87-89(97(17,18)19)107-113(91(87)99)85-61-86(102-70-101-85)114-92(100)88(90(108-114)98(20,21)22)106-104-84-60-80(94(116)110(64-73(33-11)49-41-25-3)65-74(34-12)50-42-26-4)56-58-82(84)96(118)112(68-77(37-15)53-45-29-7)69-78(38-16)54-46-30-8;1-23-39-47-70(31-9)61-109(62-71(32-10)48-40-24-2)90(115)78-55-57-80(92(117)111(65-74(35-13)51-43-27-5)66-75(36-14)52-44-28-6)82(59-78)103-105-84-86(96(17,18)19)107-113(88(84)98)94-100-69-101-95(102-94)114-89(99)85(87(108-114)97(20,21)22)106-104-83-60-79(91(116)110(63-72(33-11)49-41-25-3)64-73(34-12)50-42-26-4)56-58-81(83)93(118)112(67-76(37-15)53-45-29-7)68-77(38-16)54-46-30-8;1-15-23-31-39-51-93(52-40-32-24-16-2)77(99)63-47-49-65(79(101)95(55-43-35-27-19-5)56-44-36-28-20-6)67(59-63)87-89-71-73(81(9,10)11)91-97(75(71)83)69-61-70(86-62-85-69)98-76(84)72(74(92-98)82(12,13)14)90-88-68-60-64(78(100)94(53-41-33-25-17-3)54-42-34-26-18-4)48-50-66(68)80(102)96(57-45-37-29-21-7)58-46-38-30-22-8/h55-61,70-78H,23-54,62-69,99-100H2,1-22H3;55-60,69-77H,23-54,61-68,98-99H2,1-22H3;47-50,59-62H,15-46,51-58,83-84H2,1-14H3/b2*105-103+,106-104+;89-87+,90-88+.
What are the key properties of 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide?
2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide has a molecular weight of 4674.10 g/mol, XLogP of 75.12, 166 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[4-[5-amino-4-[[2,5-bis[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrakis(2-ethylhexyl)benzene-1,4-dicarboxamide;2-[[5-amino-1-[6-[5-amino-4-[[2,5-bis(dihexylcarbamoyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,1-N,4-N,4-N-tetrahexylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 158372338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).