heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide

C65H39Li7N14O22S8 — CID 159292442

IUPACheptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide
SMILESCc1c(C#N)c(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(S(=O)(=O)[O-])cc2)c1/N=N/c1nc(-c2ccc3ccccc3c2)c(/N=N/c2cc(SOO[O-])c3cc(SOO[O-])cc(S(=O)(=O)[O-])c3c2)s1.O=CNc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOO[O-])cc3)c3cc(SOO[O-])ccc23)cc1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C42H29N9O15S6.C23H17N5O7S2.7Li/c1-22-34(21-43)39(44-26-8-12-30(13-9-26)70(54,55)56)47-40(45-27-10-14-31(15-11-27)71(57,58)59)37(22)49-51-42-46-38(25-7-6-23-4-2-3-5-24(23)16-25)41(67-42)50-48-28-17-33-32(35(18-28)69-66-64-53)19-29(68-65-63-52)20-36(33)72(60,61)62;29-14-24-15-1-3-16(4-2-15)25-27-22-11-12-23(21-13-19(37-35-33-31)9-10-20(21)22)28-26-17-5-7-18(8-6-17)36-34-32-30;;;;;;;/h2-20,52-53H,1H3,(H2,44,45,47)(H,54,55,56)(H,57,58,59)(H,60,61,62);1-14,30-31H,(H,24,29);;;;;;;/q;;7*+1/p-7/b50-48+,51-49+;27-25+,28-26+;;;;;;;
InChIKeyLAHHSMMESGNGBR-CEABMAIBSA-G
MW1673.23 g/mol
LogP-7.09
Rot. Bonds30

About heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide

heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide (PubChem CID 159292442) has the molecular formula C65H39Li7N14O22S8 and a molecular weight of 1673.23 g/mol. Its IUPAC name is heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide.

Molecular Properties

Compound Nameheptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide
PubChem CID159292442
Molecular FormulaC65H39Li7N14O22S8
Molecular Weight1673.23 g/mol
Exact Mass1672.12
IUPAC Nameheptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide
SMILESCc1c(C#N)c(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(S(=O)(=O)[O-])cc2)c1/N=N/c1nc(-c2ccc3ccccc3c2)c(/N=N/c2cc(SOO[O-])c3cc(SOO[O-])cc(S(=O)(=O)[O-])c3c2)s1.O=CNc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOO[O-])cc3)c3cc(SOO[O-])ccc23)cc1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C42H29N9O15S6.C23H17N5O7S2.7Li/c1-22-34(21-43)39(44-26-8-12-30(13-9-26)70(54,55)56)47-40(45-27-10-14-31(15-11-27)71(57,58)59)37(22)49-51-42-46-38(25-7-6-23-4-2-3-5-24(23)16-25)41(67-42)50-48-28-17-33-32(35(18-28)69-66-64-53)19-29(68-65-63-52)20-36(33)72(60,61)62;29-14-24-15-1-3-16(4-2-15)25-27-22-11-12-23(21-13-19(37-35-33-31)9-10-20(21)22)28-26-17-5-7-18(8-6-17)36-34-32-30;;;;;;;/h2-20,52-53H,1H3,(H2,44,45,47)(H,54,55,56)(H,57,58,59)(H,60,61,62);1-14,30-31H,(H,24,29);;;;;;;/q;;7*+1/p-7/b50-48+,51-49+;27-25+,28-26+;;;;;;;
InChIKeyLAHHSMMESGNGBR-CEABMAIBSA-G
XLogP-7.09
TPSA539.29 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001673.23
LogP ≤ 5-7.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide with MolForge

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Related Compounds

nonalithium;3-[[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-3-naphthalen-2-ylthiophen-2-yl]diazenyl]naphthalene-1,5-disulfonate;3-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-7-oxidoperoxysulfanylnaphthalene-1,5-disulfonate
CID 160870282
3-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]naphthalene-1,5-disulfonic acid;sulfur trioxide
CID 165028998
pentalithium;3-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]diazenyl]-5,7-dihydronaphthalene-5,7-diide-1-sulfonate
CID 170672491
dilithium;6-[[4-cyano-5-[(2,6-dianilino-5-cyano-4-methyl-3-pyridinyl)diazenyl]thiophen-2-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 21024670
tetralithium;7-[[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(2-methyl-4-sulfonatoanilino)-3-pyridinyl]diazenyl]thiophen-2-yl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 59010252
tetrasodium;3-[[3-(4-acetamidophenyl)-4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]thiophen-2-yl]diazenyl]naphthalene-1,5-disulfonate
CID 140609317
4-[[5-cyano-3-[[3-cyano-4-naphthalen-2-yl-5-(naphthalen-2-yldiazenyl)thiophen-2-yl]diazenyl]-4-methyl-6-(4-sulfoanilino)-2-pyridinyl]amino]benzenesulfonic acid
CID 170672458
3-[[4-cyano-5-[[5-cyano-4-methyl-2,6-bis(4-sulfoanilino)-3-pyridinyl]diazenyl]-3-naphthalen-2-ylthiophen-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
CID 88913075
5-[[4-cyano-5-[[5-cyano-4-methyl-6-[(4-methylphenyl)methyl]-2-(4-sulfoanilino)-3-pyridinyl]diazenyl]-3-naphthalen-2-ylthiophen-2-yl]diazenyl]-2-nitrobenzenesulfonic acid;3-[[4-cyano-5-[[5-cyano-4-methyl-2-(4-sulfoanilino)-6-[(4-sulfophenyl)methyl]-3-pyridinyl]diazenyl]-3-naphthalen-2-ylthiophen-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonic acid;3-[[2-[[5-cyano-4-methyl-2-(4-sulfoanilino)-6-[(4-sulfophenyl)methyl]-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
CID 158846908
3-[[2-[[[5-cyano-4-methyl-2,6-bis(4-sulfoanilino)-3-pyridinyl]amino]methylamino]-4-phenyl-1,3-thiazol-5-yl]diazenyl]naphthalene-1,5-disulfonic acid
CID 159931425
pentasodium;3-[[4-[[4-[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]-7-oxidoperoxysulfanylnaphthalene-1,5-disulfonate
CID 21028852
4-[[3-[[5-[(4-amino-2-methoxy-5-methylphenyl)diazenyl]-3-cyano-4-naphthalen-2-ylthiophen-2-yl]diazenyl]-5-cyano-4-methyl-6-(4-sulfoanilino)-2-pyridinyl]amino]benzenesulfonic acid
CID 143847805

Frequently Asked Questions

What is the IUPAC name of heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide?
The IUPAC name of heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide (CID 159292442) is heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide.
What is the SMILES notation for heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide?
The canonical SMILES for heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide is Cc1c(C#N)c(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(S(=O)(=O)[O-])cc2)c1/N=N/c1nc(-c2ccc3ccccc3c2)c(/N=N/c2cc(SOO[O-])c3cc(SOO[O-])cc(S(=O)(=O)[O-])c3c2)s1.O=CNc1ccc(/N=N/c2ccc(/N=N/c3ccc(SOO[O-])cc3)c3cc(SOO[O-])ccc23)cc1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide?
The InChIKey is LAHHSMMESGNGBR-CEABMAIBSA-G. The full InChI is InChI=1S/C42H29N9O15S6.C23H17N5O7S2.7Li/c1-22-34(21-43)39(44-26-8-12-30(13-9-26)70(54,55)56)47-40(45-27-10-14-31(15-11-27)71(57,58)59)37(22)49-51-42-46-38(25-7-6-23-4-2-3-5-24(23)16-25)41(67-42)50-48-28-17-33-32(35(18-28)69-66-64-53)19-29(68-65-63-52)20-36(33)72(60,61)62;29-14-24-15-1-3-16(4-2-15)25-27-22-11-12-23(21-13-19(37-35-33-31)9-10-20(21)22)28-26-17-5-7-18(8-6-17)36-34-32-30;;;;;;;/h2-20,52-53H,1H3,(H2,44,45,47)(H,54,55,56)(H,57,58,59)(H,60,61,62);1-14,30-31H,(H,24,29);;;;;;;/q;;7*+1/p-7/b50-48+,51-49+;27-25+,28-26+;;;;;;;.
What are the key properties of heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide?
heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide has a molecular weight of 1673.23 g/mol, XLogP of -7.09, 30 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for heptalithium;7-[[2-[[5-cyano-4-methyl-2,6-bis(4-sulfonatoanilino)-3-pyridinyl]diazenyl]-4-naphthalen-2-yl-1,3-thiazol-5-yl]diazenyl]-3,5-bis(oxidoperoxysulfanyl)naphthalene-1-sulfonate;N-[4-[[6-oxidoperoxysulfanyl-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]formamide is sourced from PubChem (CID 159292442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).