(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid

C34H41O6PS2 — CID 98119546

IUPAC(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(CCC[C@@]2(P(C3CCCCC3)C3CCCCC3)c3ccccc3-c3ccc(S(=O)(=O)O)cc32)cc1
InChIInChI=1S/C34H41O6PS2/c35-42(36,37)28-19-17-25(18-20-28)10-9-23-34(41(26-11-3-1-4-12-26)27-13-5-2-6-14-27)32-16-8-7-15-30(32)31-22-21-29(24-33(31)34)43(38,39)40/h7-8,15-22,24,26-27H,1-6,9-14,23H2,(H,35,36,37)(H,38,39,40)/t34-/m1/s1
InChIKeySQHWKPNZXIWOCK-UUWRZZSWSA-N
MW640.80 g/mol
LogP8.57
Rot. Bonds9

About (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid

(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid (PubChem CID 98119546) has the molecular formula C34H41O6PS2 and a molecular weight of 640.80 g/mol. Its IUPAC name is (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid.

Molecular Properties

Compound Name(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid
PubChem CID98119546
Molecular FormulaC34H41O6PS2
Molecular Weight640.80 g/mol
Exact Mass640.21
IUPAC Name(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(CCC[C@@]2(P(C3CCCCC3)C3CCCCC3)c3ccccc3-c3ccc(S(=O)(=O)O)cc32)cc1
InChIInChI=1S/C34H41O6PS2/c35-42(36,37)28-19-17-25(18-20-28)10-9-23-34(41(26-11-3-1-4-12-26)27-13-5-2-6-14-27)32-16-8-7-15-30(32)31-22-21-29(24-33(31)34)43(38,39)40/h7-8,15-22,24,26-27H,1-6,9-14,23H2,(H,35,36,37)(H,38,39,40)/t34-/m1/s1
InChIKeySQHWKPNZXIWOCK-UUWRZZSWSA-N
XLogP8.57
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.80
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
CID 102393553
4-(4-aminobutyl)benzenesulfonic acid;hydrochloride
CID 175392230
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-heptacosylbenzenesulfonic acid
CID 101306334
4-(9-aminononyl)benzenesulfonic acid
CID 57192247
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 139432783
sodium;4-(9-aminononyl)benzenesulfonic acid;hydride
CID 173354445
sodium;4-(7-aminoheptyl)benzenesulfonic acid;hydride
CID 173354191
sodium;4-hexadecylbenzenesulfonic acid;hydride
CID 173423984
4-[(2-fluorocyclohexyl)methyl]benzenesulfonic acid
CID 87156208

Frequently Asked Questions

What is the IUPAC name of (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid?
The IUPAC name of (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid (CID 98119546) is (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid.
What is the SMILES notation for (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid?
The canonical SMILES for (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid is O=S(=O)(O)c1ccc(CCC[C@@]2(P(C3CCCCC3)C3CCCCC3)c3ccccc3-c3ccc(S(=O)(=O)O)cc32)cc1.
What is the InChIKey of (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid?
The InChIKey is SQHWKPNZXIWOCK-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H41O6PS2/c35-42(36,37)28-19-17-25(18-20-28)10-9-23-34(41(26-11-3-1-4-12-26)27-13-5-2-6-14-27)32-16-8-7-15-30(32)31-22-21-29(24-33(31)34)43(38,39)40/h7-8,15-22,24,26-27H,1-6,9-14,23H2,(H,35,36,37)(H,38,39,40)/t34-/m1/s1.
What are the key properties of (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid?
(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid has a molecular weight of 640.80 g/mol, XLogP of 8.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid is sourced from PubChem (CID 98119546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).