carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate

C231H286ClN23O51SSi5 — CID 161320873

IUPACcarbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate
SMILESCN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCOCCC(=O)CCCOCCOCCNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-].Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.O=C=O
InChIInChI=1S/2C50H65N5O11Si.C49H63N5O11Si.C41H48N4O9SSi.C40H45ClN4O7Si.CO2/c2*1-35-10-17-44(45(31-35)55(60)61)51-19-23-64-27-25-62-21-8-9-39(56)18-22-63-26-29-66-30-28-65-24-20-52-49(57)36-11-14-40(50(58)59)43(32-36)48-41-15-12-37(53(2)3)33-46(41)67(6,7)47-34-38(54(4)5)13-16-42(47)48;1-52(2)36-14-17-40-45(33-36)66(5,6)46-34-37(53(3)4)15-18-41(46)47(40)42-32-35(13-16-39(42)49(57)58)48(56)51-21-25-64-29-31-65-30-27-62-23-19-38(55)10-9-22-61-26-28-63-24-20-50-43-11-7-8-12-44(43)54(59)60;1-43(2)29-12-16-33-37(24-29)56(6,7)38-25-30(44(3)4)13-17-34(38)39(33)35-23-28(11-15-32(35)41(47)48)40(46)42-18-20-54-22-21-53-19-8-9-27-10-14-31(55(5,51)52)26-36(27)45(49)50;1-43(2)29-12-15-32-36(24-29)53(5,6)37-25-30(44(3)4)13-16-33(37)38(32)34-22-27(10-14-31(34)40(47)48)39(46)42-17-19-52-21-20-51-18-7-8-26-9-11-28(41)23-35(26)45(49)50;2-1-3/h2*10-17,31-34,51H,8-9,18-30H2,1-7H3,(H-,52,57,58,59);7-8,11-18,32-34,50H,9-10,19-31H2,1-6H3,(H-,51,56,57,58);10-17,23-26H,8-9,18-22H2,1-7H3,(H-,42,46,47,48);9-16,22-25H,7-8,17-21H2,1-6H3,(H-,42,46,47,48);
InChIKeyVKCYJMFLEOEYME-UHFFFAOYSA-N
MW4408.89 g/mol
LogP20.39
Rot. Bonds115

About carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate

carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate (PubChem CID 161320873) has the molecular formula C231H286ClN23O51SSi5 and a molecular weight of 4408.89 g/mol. Its IUPAC name is carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namecarbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate
PubChem CID161320873
Molecular FormulaC231H286ClN23O51SSi5
Molecular Weight4408.89 g/mol
Exact Mass4404.87
IUPAC Namecarbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate
SMILESCN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCOCCC(=O)CCCOCCOCCNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-].Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.O=C=O
InChIInChI=1S/2C50H65N5O11Si.C49H63N5O11Si.C41H48N4O9SSi.C40H45ClN4O7Si.CO2/c2*1-35-10-17-44(45(31-35)55(60)61)51-19-23-64-27-25-62-21-8-9-39(56)18-22-63-26-29-66-30-28-65-24-20-52-49(57)36-11-14-40(50(58)59)43(32-36)48-41-15-12-37(53(2)3)33-46(41)67(6,7)47-34-38(54(4)5)13-16-42(47)48;1-52(2)36-14-17-40-45(33-36)66(5,6)46-34-37(53(3)4)15-18-41(46)47(40)42-32-35(13-16-39(42)49(57)58)48(56)51-21-25-64-29-31-65-30-27-62-23-19-38(55)10-9-22-61-26-28-63-24-20-50-43-11-7-8-12-44(43)54(59)60;1-43(2)29-12-16-33-37(24-29)56(6,7)38-25-30(44(3)4)13-17-34(38)39(33)35-23-28(11-15-32(35)41(47)48)40(46)42-18-20-54-22-21-53-19-8-9-27-10-14-31(55(5,51)52)26-36(27)45(49)50;1-43(2)29-12-15-32-36(24-29)53(5,6)37-25-30(44(3)4)13-16-33(37)38(32)34-22-27(10-14-31(34)40(47)48)39(46)42-17-19-52-21-20-51-18-7-8-26-9-11-28(41)23-35(26)45(49)50;2-1-3/h2*10-17,31-34,51H,8-9,18-30H2,1-7H3,(H-,52,57,58,59);7-8,11-18,32-34,50H,9-10,19-31H2,1-6H3,(H-,51,56,57,58);10-17,23-26H,8-9,18-22H2,1-7H3,(H-,42,46,47,48);9-16,22-25H,7-8,17-21H2,1-6H3,(H-,42,46,47,48);
InChIKeyVKCYJMFLEOEYME-UHFFFAOYSA-N
XLogP20.39
TPSA924.05 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds115
Heavy Atoms312
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004408.89
LogP ≤ 520.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Analyze carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate with MolForge

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Related Compounds

4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate
CID 160918550
[10-[2-carboxy-5-[2-[2-(5-chloropentoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 71510224
[7-(dimethylamino)-10-[5-(ethylcarbamoyl)-2-methylphenyl]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 160652370
CID 161404489
CID 161404489
[10-(2,4-dicarboxyphenyl)-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 71509947
2-hydroxy-4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide
CID 31644062
CID 158844178
CID 158844178
2-[(5S)-7-(dimethylamino)-3-dimethylazaniumylidene-5-[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]sulfanylpropyl]-5-methylbenzo[b][1]benzosilin-10-yl]benzoate
CID 176584925
2-carboxy-4-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-5-methylthiophene-3-carboxylate
CID 140657528
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
3-bromo-N-[2-(4-chloro-2-nitroanilino)ethyl]benzamide
CID 2855407
2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylcarbamoyl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylcarbamoyl]benzoate
CID 131952957

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate?
The IUPAC name of carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate (CID 161320873) is carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate.
What is the SMILES notation for carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate?
The canonical SMILES for carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate is CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCCc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1C(=O)[O-].CN(C)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](C)C)C=CC1=C2c1cc(C(=O)NCCOCCOCCOCCC(=O)CCCOCCOCCNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-].Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.Cc1ccc(NCCOCCOCCCC(=O)CCOCCOCCOCCNC(=O)c2ccc(C(=O)[O-])c(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(N(C)C)ccc43)c2)c([N+](=O)[O-])c1.O=C=O.
What is the InChIKey of carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate?
The InChIKey is VKCYJMFLEOEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H65N5O11Si.C49H63N5O11Si.C41H48N4O9SSi.C40H45ClN4O7Si.CO2/c2*1-35-10-17-44(45(31-35)55(60)61)51-19-23-64-27-25-62-21-8-9-39(56)18-22-63-26-29-66-30-28-65-24-20-52-49(57)36-11-14-40(50(58)59)43(32-36)48-41-15-12-37(53(2)3)33-46(41)67(6,7)47-34-38(54(4)5)13-16-42(47)48;1-52(2)36-14-17-40-45(33-36)66(5,6)46-34-37(53(3)4)15-18-41(46)47(40)42-32-35(13-16-39(42)49(57)58)48(56)51-21-25-64-29-31-65-30-27-62-23-19-38(55)10-9-22-61-26-28-63-24-20-50-43-11-7-8-12-44(43)54(59)60;1-43(2)29-12-16-33-37(24-29)56(6,7)38-25-30(44(3)4)13-17-34(38)39(33)35-23-28(11-15-32(35)41(47)48)40(46)42-18-20-54-22-21-53-19-8-9-27-10-14-31(55(5,51)52)26-36(27)45(49)50;1-43(2)29-12-15-32-36(24-29)53(5,6)37-25-30(44(3)4)13-16-33(37)38(32)34-22-27(10-14-31(34)40(47)48)39(46)42-17-19-52-21-20-51-18-7-8-26-9-11-28(41)23-35(26)45(49)50;2-1-3/h2*10-17,31-34,51H,8-9,18-30H2,1-7H3,(H-,52,57,58,59);7-8,11-18,32-34,50H,9-10,19-31H2,1-6H3,(H-,51,56,57,58);10-17,23-26H,8-9,18-22H2,1-7H3,(H-,42,46,47,48);9-16,22-25H,7-8,17-21H2,1-6H3,(H-,42,46,47,48);.
What are the key properties of carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate?
carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate has a molecular weight of 4408.89 g/mol, XLogP of 20.39, 115 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-[2-[2-[3-(4-chloro-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]-2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]benzoate;bis(2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(4-methyl-2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate);2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[3-(4-methylsulfonyl-2-nitrophenyl)propoxy]ethoxy]ethylcarbamoyl]benzoate;2-[7-(dimethylamino)-3-dimethylazaniumylidene-5,5-dimethylbenzo[b][1]benzosilin-10-yl]-4-[2-[2-[2-[6-[2-[2-(2-nitroanilino)ethoxy]ethoxy]-3-oxohexoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate is sourced from PubChem (CID 161320873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).