tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium

C42H28Br2CrN8Na4O19S3+4 — CID 170839992

IUPACtetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium
SMILESC=C(Br)C(=O)Nc1ccc2c(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4cc([N+](=O)[O-])ccc34)c(S(=O)(=O)O)cc2c1.C=C(Br)C(=O)Nc1cccc2c(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c(S(=O)(=O)O)cc12.[Cr].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C23H15BrN4O11S2.C19H13BrN4O8S.Cr.4Na/c1-10(24)23(31)25-12-2-4-14-11(6-12)7-19(41(37,38)39)21(22(14)30)27-26-20-15-5-3-13(28(32)33)8-16(15)18(9-17(20)29)40(34,35)36;1-9(20)19(27)21-13-4-2-3-11-12(13)8-16(33(30,31)32)17(18(11)26)23-22-14-7-10(24(28)29)5-6-15(14)25;;;;;/h2-9,29-30H,1H2,(H,25,31)(H,34,35,36)(H,37,38,39);2-8,25-26H,1H2,(H,21,27)(H,30,31,32);;;;;/q;;;4*+1/b27-26+;23-22+;;;;;
InChIKeyJJGUYVPWXKIPSQ-FHCGLQRASA-N
MW1348.69 g/mol
LogP-2.25
Rot. Bonds13

About tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium

tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium (PubChem CID 170839992) has the molecular formula C42H28Br2CrN8Na4O19S3+4 and a molecular weight of 1348.69 g/mol. Its IUPAC name is tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium.

Molecular Properties

Compound Nametetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium
PubChem CID170839992
Molecular FormulaC42H28Br2CrN8Na4O19S3+4
Molecular Weight1348.69 g/mol
Exact Mass1345.80
IUPAC Nametetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium
SMILESC=C(Br)C(=O)Nc1ccc2c(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4cc([N+](=O)[O-])ccc34)c(S(=O)(=O)O)cc2c1.C=C(Br)C(=O)Nc1cccc2c(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c(S(=O)(=O)O)cc12.[Cr].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C23H15BrN4O11S2.C19H13BrN4O8S.Cr.4Na/c1-10(24)23(31)25-12-2-4-14-11(6-12)7-19(41(37,38)39)21(22(14)30)27-26-20-15-5-3-13(28(32)33)8-16(15)18(9-17(20)29)40(34,35)36;1-9(20)19(27)21-13-4-2-3-11-12(13)8-16(33(30,31)32)17(18(11)26)23-22-14-7-10(24(28)29)5-6-15(14)25;;;;;/h2-9,29-30H,1H2,(H,25,31)(H,34,35,36)(H,37,38,39);2-8,25-26H,1H2,(H,21,27)(H,30,31,32);;;;;/q;;;4*+1/b27-26+;23-22+;;;;;
InChIKeyJJGUYVPWXKIPSQ-FHCGLQRASA-N
XLogP-2.25
TPSA437.95 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.69
LogP ≤ 5-2.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium with MolForge

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Related Compounds

sodium 3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 135422055
6-(2,3-dibromopropanoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 161151159
3-hydroxy-4-[(5-hydroxy-1-sulfonaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 136855555
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
CID 156599340
disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 170840702
7-[(4-chloro-6-phenylimino-1H-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 170840624
disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 137140608
7-anilino-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 166844010
4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
disodium;chromium;4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenylpyrazol-4-id-3-one
CID 91809018
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
cobalt(3+);1-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalen-2-olate;6-nitro-1-[(2-oxidonaphthalen-1-yl)diazenyl]-4-sulfonaphthalen-2-olate
CID 170841740

Frequently Asked Questions

What is the IUPAC name of tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The IUPAC name of tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium (CID 170839992) is tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium.
What is the SMILES notation for tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The canonical SMILES for tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium is C=C(Br)C(=O)Nc1ccc2c(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4cc([N+](=O)[O-])ccc34)c(S(=O)(=O)O)cc2c1.C=C(Br)C(=O)Nc1cccc2c(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c(S(=O)(=O)O)cc12.[Cr].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The InChIKey is JJGUYVPWXKIPSQ-FHCGLQRASA-N. The full InChI is InChI=1S/C23H15BrN4O11S2.C19H13BrN4O8S.Cr.4Na/c1-10(24)23(31)25-12-2-4-14-11(6-12)7-19(41(37,38)39)21(22(14)30)27-26-20-15-5-3-13(28(32)33)8-16(15)18(9-17(20)29)40(34,35)36;1-9(20)19(27)21-13-4-2-3-11-12(13)8-16(33(30,31)32)17(18(11)26)23-22-14-7-10(24(28)29)5-6-15(14)25;;;;;/h2-9,29-30H,1H2,(H,25,31)(H,34,35,36)(H,37,38,39);2-8,25-26H,1H2,(H,21,27)(H,30,31,32);;;;;/q;;;4*+1/b27-26+;23-22+;;;;;.
What are the key properties of tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium?
tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium has a molecular weight of 1348.69 g/mol, XLogP of -2.25, 13 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;8-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;7-(2-bromoprop-2-enoylamino)-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;chromium is sourced from PubChem (CID 170839992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).