sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol

C35H27ClCrN5NaO8S+2 — CID 163360215

IUPACsodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESC=CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c2c1.Oc1ccccc1/N=N/c1c(O)ccc2ccccc12.[Cr].[H+].[Na+]
InChIInChI=1S/C19H14ClN3O6S.C16H12N2O2.Cr.Na/c1-2-17(25)21-12-5-3-10-7-16(30(27,28)29)18(19(26)13(10)9-12)23-22-14-8-11(20)4-6-15(14)24;19-14-8-4-3-7-13(14)17-18-16-12-6-2-1-5-11(12)9-10-15(16)20;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-10,19-20H;;/q;;;+1/p+1/b23-22+;18-17+;;
InChIKeyYMEKQIVNPYCDRW-IYVJCHIOSA-O
MW788.13 g/mol
LogP6.47
Rot. Bonds7

About sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol

sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 163360215) has the molecular formula C35H27ClCrN5NaO8S+2 and a molecular weight of 788.13 g/mol. Its IUPAC name is sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Namesodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID163360215
Molecular FormulaC35H27ClCrN5NaO8S+2
Molecular Weight788.13 g/mol
Exact Mass787.06
IUPAC Namesodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESC=CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c2c1.Oc1ccccc1/N=N/c1c(O)ccc2ccccc12.[Cr].[H+].[Na+]
InChIInChI=1S/C19H14ClN3O6S.C16H12N2O2.Cr.Na/c1-2-17(25)21-12-5-3-10-7-16(30(27,28)29)18(19(26)13(10)9-12)23-22-14-8-11(20)4-6-15(14)24;19-14-8-4-3-7-13(14)17-18-16-12-6-2-1-5-11(12)9-10-15(16)20;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-10,19-20H;;/q;;;+1/p+1/b23-22+;18-17+;;
InChIKeyYMEKQIVNPYCDRW-IYVJCHIOSA-O
XLogP6.47
TPSA213.83 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500788.13
LogP ≤ 56.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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
3-[(2-chloro-5-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid
CID 170840701
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
1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol;chromium;(2-hydroxy-4-sulfonaphthalen-1-yl)imino-(2-oxonionaphthalen-1-yl)azanium
CID 170844479
4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 177409198
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136880360
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136857527
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
CID 136688245
2-chloro-5-[[4-hydroxy-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid
CID 170843268
6-(2,3-dibromopropanoylamino)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 161151159
barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid)
CID 165415560

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol (CID 163360215) is sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol is C=CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c2c1.Oc1ccccc1/N=N/c1c(O)ccc2ccccc12.[Cr].[H+].[Na+].
What is the InChIKey of sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is YMEKQIVNPYCDRW-IYVJCHIOSA-O. The full InChI is InChI=1S/C19H14ClN3O6S.C16H12N2O2.Cr.Na/c1-2-17(25)21-12-5-3-10-7-16(30(27,28)29)18(19(26)13(10)9-12)23-22-14-8-11(20)4-6-15(14)24;19-14-8-4-3-7-13(14)17-18-16-12-6-2-1-5-11(12)9-10-15(16)20;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-10,19-20H;;/q;;;+1/p+1/b23-22+;18-17+;;.
What are the key properties of sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 788.13 g/mol, XLogP of 6.47, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;hydron;1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 163360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).