acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc

C226H180N32O20S8Zn4-4 — CID 158775408

IUPACacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C#N)cc2)C(c2ccc(C#N)cc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C(C)C)cc2C)C(c2ccc(C(C)C)cc2C(C)C)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C60H55N7O2S2.C56H47N7O2S2.C52H33N9O2S2.C50H33N9O6S2.4C2H4O2.4Zn/c1-32(2)38-26-28-40(37(9)30-38)49-51(59-61-45-22-14-16-24-47(45)70-59)55(66-57(68)41-20-12-10-18-35(41)7)64-53(49)63-54-50(43-29-27-39(33(3)4)31-44(43)34(5)6)52(60-62-46-23-15-17-25-48(46)71-60)56(65-54)67-58(69)42-21-13-11-19-36(42)8;1-29-25-33(5)43(34(6)26-29)45-47(55-57-39-21-13-15-23-41(39)66-55)51(62-53(64)37-19-11-9-17-31(37)3)60-49(45)59-50-46(44-35(7)27-30(2)28-36(44)8)48(56-58-40-22-14-16-24-42(40)67-56)52(61-50)63-54(65)38-20-12-10-18-32(38)4;1-29-11-3-5-13-35(29)49(62)60-47-43(51-55-37-15-7-9-17-39(37)64-51)41(33-23-19-31(27-53)20-24-33)45(58-47)57-46-42(34-25-21-32(28-54)22-26-34)44(52-56-38-16-8-10-18-40(38)65-52)48(59-46)61-50(63)36-14-6-4-12-30(36)2;1-27-11-3-5-13-33(27)47(60)56-45-41(49-51-35-15-7-9-17-37(35)66-49)39(29-19-23-31(24-20-29)58(62)63)43(54-45)53-44-40(30-21-25-32(26-22-30)59(64)65)42(50-52-36-16-8-10-18-38(36)67-50)46(55-44)57-48(61)34-14-6-4-12-28(34)2;4*1-2(3)4;;;;/h10-34H,1-9H3,(H3,61,62,63,64,65,66,67,68,69);9-28H,1-8H3,(H3,57,58,59,60,61,62,63,64,65);3-26H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-26H,1-2H3,(H3,51,52,53,54,55,56,57,60,61);4*1H3,(H,3,4);;;;/p-4
InChIKeyOTQBDZLEURECKB-UHFFFAOYSA-J
MW4182.23 g/mol
LogP51.64
Rot. Bonds37

About acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc

acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc (PubChem CID 158775408) has the molecular formula C226H180N32O20S8Zn4-4 and a molecular weight of 4182.23 g/mol. Its IUPAC name is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc.

Molecular Properties

Compound Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
PubChem CID158775408
Molecular FormulaC226H180N32O20S8Zn4-4
Molecular Weight4182.23 g/mol
Exact Mass4172.90
IUPAC Nameacetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C#N)cc2)C(c2ccc(C#N)cc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C(C)C)cc2C)C(c2ccc(C(C)C)cc2C(C)C)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C60H55N7O2S2.C56H47N7O2S2.C52H33N9O2S2.C50H33N9O6S2.4C2H4O2.4Zn/c1-32(2)38-26-28-40(37(9)30-38)49-51(59-61-45-22-14-16-24-47(45)70-59)55(66-57(68)41-20-12-10-18-35(41)7)64-53(49)63-54-50(43-29-27-39(33(3)4)31-44(43)34(5)6)52(60-62-46-23-15-17-25-48(46)71-60)56(65-54)67-58(69)42-21-13-11-19-36(42)8;1-29-25-33(5)43(34(6)26-29)45-47(55-57-39-21-13-15-23-41(39)66-55)51(62-53(64)37-19-11-9-17-31(37)3)60-49(45)59-50-46(44-35(7)27-30(2)28-36(44)8)48(56-58-40-22-14-16-24-42(40)67-56)52(61-50)63-54(65)38-20-12-10-18-32(38)4;1-29-11-3-5-13-35(29)49(62)60-47-43(51-55-37-15-7-9-17-39(37)64-51)41(33-23-19-31(27-53)20-24-33)45(58-47)57-46-42(34-25-21-32(28-54)22-26-34)44(52-56-38-16-8-10-18-40(38)65-52)48(59-46)61-50(63)36-14-6-4-12-30(36)2;1-27-11-3-5-13-33(27)47(60)56-45-41(49-51-35-15-7-9-17-37(35)66-49)39(29-19-23-31(24-20-29)58(62)63)43(54-45)53-44-40(30-21-25-32(26-22-30)59(64)65)42(50-52-36-16-8-10-18-38(36)67-50)46(55-44)57-48(61)34-14-6-4-12-28(34)2;4*1-2(3)4;;;;/h10-34H,1-9H3,(H3,61,62,63,64,65,66,67,68,69);9-28H,1-8H3,(H3,57,58,59,60,61,62,63,64,65);3-26H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-26H,1-2H3,(H3,51,52,53,54,55,56,57,60,61);4*1H3,(H,3,4);;;;/p-4
InChIKeyOTQBDZLEURECKB-UHFFFAOYSA-J
XLogP51.64
TPSA774.26 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004182.23
LogP ≤ 551.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The IUPAC name of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc (CID 158775408) is acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc.
What is the SMILES notation for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The canonical SMILES for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Cc1cc(C)c(C2=C(c3nc4ccccc4s3)C(NC(=O)c3ccccc3C)=NC2=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2c(C)cc(C)cc2C)c(C)c1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C#N)cc2)C(c2ccc(C#N)cc2)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc(C(C)C)cc2C)C(c2ccc(C(C)C)cc2C(C)C)=C1c1nc2ccccc2s1.Cc1ccccc1C(=O)NC1=NC(=Nc2[n-]c(NC(=O)c3ccccc3C)c(-c3nc4ccccc4s3)c2-c2ccc([N+](=O)[O-])cc2)C(c2ccc([N+](=O)[O-])cc2)=C1c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
The InChIKey is OTQBDZLEURECKB-UHFFFAOYSA-J. The full InChI is InChI=1S/C60H55N7O2S2.C56H47N7O2S2.C52H33N9O2S2.C50H33N9O6S2.4C2H4O2.4Zn/c1-32(2)38-26-28-40(37(9)30-38)49-51(59-61-45-22-14-16-24-47(45)70-59)55(66-57(68)41-20-12-10-18-35(41)7)64-53(49)63-54-50(43-29-27-39(33(3)4)31-44(43)34(5)6)52(60-62-46-23-15-17-25-48(46)71-60)56(65-54)67-58(69)42-21-13-11-19-36(42)8;1-29-25-33(5)43(34(6)26-29)45-47(55-57-39-21-13-15-23-41(39)66-55)51(62-53(64)37-19-11-9-17-31(37)3)60-49(45)59-50-46(44-35(7)27-30(2)28-36(44)8)48(56-58-40-22-14-16-24-42(40)67-56)52(61-50)63-54(65)38-20-12-10-18-32(38)4;1-29-11-3-5-13-35(29)49(62)60-47-43(51-55-37-15-7-9-17-39(37)64-51)41(33-23-19-31(27-53)20-24-33)45(58-47)57-46-42(34-25-21-32(28-54)22-26-34)44(52-56-38-16-8-10-18-40(38)65-52)48(59-46)61-50(63)36-14-6-4-12-30(36)2;1-27-11-3-5-13-33(27)47(60)56-45-41(49-51-35-15-7-9-17-37(35)66-49)39(29-19-23-31(24-20-29)58(62)63)43(54-45)53-44-40(30-21-25-32(26-22-30)59(64)65)42(50-52-36-16-8-10-18-38(36)67-50)46(55-44)57-48(61)34-14-6-4-12-28(34)2;4*1-2(3)4;;;;/h10-34H,1-9H3,(H3,61,62,63,64,65,66,67,68,69);9-28H,1-8H3,(H3,57,58,59,60,61,62,63,64,65);3-26H,1-2H3,(H3,55,56,57,58,59,60,61,62,63);3-26H,1-2H3,(H3,51,52,53,54,55,56,57,60,61);4*1H3,(H,3,4);;;;/p-4.
What are the key properties of acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc?
acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc has a molecular weight of 4182.23 g/mol, XLogP of 51.64, 37 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-[2,4-di(propan-2-yl)phenyl]-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(2-methyl-4-propan-2-ylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]amino]-4-(4-nitrophenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(2,4,6-trimethylphenyl)pyrrol-2-ylidene]amino]-4-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]-2-methylbenzamide;zinc is sourced from PubChem (CID 158775408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).