3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene

C36H29F2OP — CID 134596149

IUPAC3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccc(F)cc2-c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)-c3cc(F)ccc3C4(C)C)ccc21
InChIInChI=1S/C36H29F2OP/c1-35(2)31-14-10-22(37)18-27(31)29-20-25(12-16-33(29)35)40(39,24-8-6-5-7-9-24)26-13-17-34-30(21-26)28-19-23(38)11-15-32(28)36(34,3)4/h5-21H,1-4H3
InChIKeyLPVOUQPJYXKUBP-UHFFFAOYSA-N
MW546.60 g/mol
LogP8.22
Rot. Bonds3

About 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene

3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene (PubChem CID 134596149) has the molecular formula C36H29F2OP and a molecular weight of 546.60 g/mol. Its IUPAC name is 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene
PubChem CID134596149
Molecular FormulaC36H29F2OP
Molecular Weight546.60 g/mol
Exact Mass546.19
IUPAC Name3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccc(F)cc2-c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)-c3cc(F)ccc3C4(C)C)ccc21
InChIInChI=1S/C36H29F2OP/c1-35(2)31-14-10-22(37)18-27(31)29-20-25(12-16-33(29)35)40(39,24-8-6-5-7-9-24)26-13-17-34-30(21-26)28-19-23(38)11-15-32(28)36(34,3)4/h5-21H,1-4H3
InChIKeyLPVOUQPJYXKUBP-UHFFFAOYSA-N
XLogP8.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.60
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene?
The IUPAC name of 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene (CID 134596149) is 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene.
What is the SMILES notation for 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene?
The canonical SMILES for 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene is CC1(C)c2ccc(F)cc2-c2cc(P(=O)(c3ccccc3)c3ccc4c(c3)-c3cc(F)ccc3C4(C)C)ccc21.
What is the InChIKey of 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene?
The InChIKey is LPVOUQPJYXKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F2OP/c1-35(2)31-14-10-22(37)18-27(31)29-20-25(12-16-33(29)35)40(39,24-8-6-5-7-9-24)26-13-17-34-30(21-26)28-19-23(38)11-15-32(28)36(34,3)4/h5-21H,1-4H3.
What are the key properties of 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene?
3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene has a molecular weight of 546.60 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[(6-fluoro-9,9-dimethylfluoren-3-yl)-phenylphosphoryl]-9,9-dimethylfluorene is sourced from PubChem (CID 134596149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).