bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate

C27H20Cl2N2O6S2 — CID 71945455

IUPACbis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate
SMILESCN(C)N=C1c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc21
InChIInChI=1S/C27H20Cl2N2O6S2/c1-31(2)30-27-25-15-21(38(32,33)36-19-7-3-17(28)4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)39(34,35)37-20-9-5-18(29)6-10-20/h3-16H,1-2H3
InChIKeyNUTFMLLVBPUZFT-UHFFFAOYSA-N
MW603.51 g/mol
LogP5.82
Rot. Bonds7

About bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate

bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate (PubChem CID 71945455) has the molecular formula C27H20Cl2N2O6S2 and a molecular weight of 603.51 g/mol. Its IUPAC name is bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate.

Molecular Properties

Compound Namebis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate
PubChem CID71945455
Molecular FormulaC27H20Cl2N2O6S2
Molecular Weight603.51 g/mol
Exact Mass602.01
IUPAC Namebis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate
SMILESCN(C)N=C1c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc21
InChIInChI=1S/C27H20Cl2N2O6S2/c1-31(2)30-27-25-15-21(38(32,33)36-19-7-3-17(28)4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)39(34,35)37-20-9-5-18(29)6-10-20/h3-16H,1-2H3
InChIKeyNUTFMLLVBPUZFT-UHFFFAOYSA-N
XLogP5.82
TPSA102.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) 3,4-diaminobenzenesulfonate
CID 23347917
(4-chlorophenyl) 4-(bromomethyl)-3-chlorobenzenesulfonate
CID 135283922
bis(4-chlorophenyl) 4,5-dinitro-9-oxofluorene-2,7-disulfonate
CID 21239751
5,6,7,8-tetrahydronaphthalen-2-yl 4-chlorobenzenesulfonate
CID 110504269
[4-[(3-chloro-4-methylphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126215281
bis(4-chlorophenyl) sulfate
CID 57162501
(4-benzoylphenyl) 4-chlorobenzenesulfonate
CID 7314216
(4-methoxyphenyl) 3-amino-4-chlorobenzenesulfonate
CID 54523118
[4-(1,3-dithiolan-2-yl)phenyl] 4-chlorobenzenesulfonate
CID 5011862
(4-iodophenyl) 1,3-dioxoisoindole-5-sulfonate
CID 56587278
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
(4-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 26946259

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate?
The IUPAC name of bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate (CID 71945455) is bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate.
What is the SMILES notation for bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate?
The canonical SMILES for bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate is CN(C)N=C1c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc21.
What is the InChIKey of bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate?
The InChIKey is NUTFMLLVBPUZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O6S2/c1-31(2)30-27-25-15-21(38(32,33)36-19-7-3-17(28)4-8-19)11-13-23(25)24-14-12-22(16-26(24)27)39(34,35)37-20-9-5-18(29)6-10-20/h3-16H,1-2H3.
What are the key properties of bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate?
bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate has a molecular weight of 603.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl) 9-(dimethylhydrazinylidene)fluorene-2,7-disulfonate is sourced from PubChem (CID 71945455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).