3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid

C31H32O6P2 — CID 102581615

IUPAC3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid
SMILESO=P(O)(O)CCCC1(CCCP(=O)(O)O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H32O6P2/c32-38(33,34)19-7-17-31(18-8-20-39(35,36)37)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20H2,(H2,32,33,34)(H2,35,36,37)
InChIKeyWCONSRUVKBMURV-UHFFFAOYSA-N
MW562.54 g/mol
LogP7.20
Rot. Bonds10

About 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid

3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid (PubChem CID 102581615) has the molecular formula C31H32O6P2 and a molecular weight of 562.54 g/mol. Its IUPAC name is 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid.

Molecular Properties

Compound Name3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid
PubChem CID102581615
Molecular FormulaC31H32O6P2
Molecular Weight562.54 g/mol
Exact Mass562.17
IUPAC Name3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid
SMILESO=P(O)(O)CCCC1(CCCP(=O)(O)O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H32O6P2/c32-38(33,34)19-7-17-31(18-8-20-39(35,36)37)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20H2,(H2,32,33,34)(H2,35,36,37)
InChIKeyWCONSRUVKBMURV-UHFFFAOYSA-N
XLogP7.20
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.54
LogP ≤ 57.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[2,7-dibromo-9-(6-phosphonohexyl)fluoren-9-yl]hexylphosphonic acid
CID 141174107
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
CID 166060136
2-phenyl-9,9-dipropylfluorene
CID 154114384
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
CID 58251073
trimethyl-[4-[9-[4-(trimethylazaniumyl)butyl]-2,7-bis[4-(1,2,2-triphenylethenyl)phenyl]fluoren-9-yl]butyl]azanium dibromide
CID 175976628
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854

Frequently Asked Questions

What is the IUPAC name of 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid?
The IUPAC name of 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid (CID 102581615) is 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid.
What is the SMILES notation for 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid?
The canonical SMILES for 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid is O=P(O)(O)CCCC1(CCCP(=O)(O)O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid?
The InChIKey is WCONSRUVKBMURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O6P2/c32-38(33,34)19-7-17-31(18-8-20-39(35,36)37)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20H2,(H2,32,33,34)(H2,35,36,37).
What are the key properties of 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid?
3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid has a molecular weight of 562.54 g/mol, XLogP of 7.20, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid is sourced from PubChem (CID 102581615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).