9-(1-chloro-2-diphenylphosphorylethylidene)fluorene

C54H40Cl2O2P2 — CID 139098080

IUPAC9-(1-chloro-2-diphenylphosphorylethylidene)fluorene
SMILESO=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.O=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C27H20ClOP/c2*28-26(27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27)19-30(29,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h2*1-18H,19H2
InChIKeyNKXPGJUEALEVQZ-UHFFFAOYSA-N
MW853.77 g/mol
LogP13.36
Rot. Bonds8

About 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene

9-(1-chloro-2-diphenylphosphorylethylidene)fluorene (PubChem CID 139098080) has the molecular formula C54H40Cl2O2P2 and a molecular weight of 853.77 g/mol. Its IUPAC name is 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene.

Molecular Properties

Compound Name9-(1-chloro-2-diphenylphosphorylethylidene)fluorene
PubChem CID139098080
Molecular FormulaC54H40Cl2O2P2
Molecular Weight853.77 g/mol
Exact Mass852.19
IUPAC Name9-(1-chloro-2-diphenylphosphorylethylidene)fluorene
SMILESO=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.O=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C27H20ClOP/c2*28-26(27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27)19-30(29,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h2*1-18H,19H2
InChIKeyNKXPGJUEALEVQZ-UHFFFAOYSA-N
XLogP13.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.77
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene?
The IUPAC name of 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene (CID 139098080) is 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene.
What is the SMILES notation for 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene?
The canonical SMILES for 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene is O=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.O=P(CC(Cl)=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene?
The InChIKey is NKXPGJUEALEVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20ClOP/c2*28-26(27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27)19-30(29,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h2*1-18H,19H2.
What are the key properties of 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene?
9-(1-chloro-2-diphenylphosphorylethylidene)fluorene has a molecular weight of 853.77 g/mol, XLogP of 13.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-chloro-2-diphenylphosphorylethylidene)fluorene is sourced from PubChem (CID 139098080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).