7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

C39H26F24P2 — CID 18324362

IUPAC7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1cc(P(CCCCCCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C39H26F24P2/c40-32(41,42)20-8-21(33(43,44)45)13-28(12-20)64(29-14-22(34(46,47)48)9-23(15-29)35(49,50)51)6-4-2-1-3-5-7-65(30-16-24(36(52,53)54)10-25(17-30)37(55,56)57)31-18-26(38(58,59)60)11-27(19-31)39(61,62)63/h8-19H,1-7H2
InChIKeyZTIATYJXILAPJO-UHFFFAOYSA-N
MW1012.54 g/mol
LogP15.35
Rot. Bonds12

About 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (PubChem CID 18324362) has the molecular formula C39H26F24P2 and a molecular weight of 1012.54 g/mol. Its IUPAC name is 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
PubChem CID18324362
Molecular FormulaC39H26F24P2
Molecular Weight1012.54 g/mol
Exact Mass1012.11
IUPAC Name7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1cc(P(CCCCCCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C39H26F24P2/c40-32(41,42)20-8-21(33(43,44)45)13-28(12-20)64(29-14-22(34(46,47)48)9-23(15-29)35(49,50)51)6-4-2-1-3-5-7-65(30-16-24(36(52,53)54)10-25(17-30)37(55,56)57)31-18-26(38(58,59)60)11-27(19-31)39(61,62)63/h8-19H,1-7H2
InChIKeyZTIATYJXILAPJO-UHFFFAOYSA-N
XLogP15.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.54
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The IUPAC name of 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (CID 18324362) is 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1cc(P(CCCCCCCP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The InChIKey is ZTIATYJXILAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26F24P2/c40-32(41,42)20-8-21(33(43,44)45)13-28(12-20)64(29-14-22(34(46,47)48)9-23(15-29)35(49,50)51)6-4-2-1-3-5-7-65(30-16-24(36(52,53)54)10-25(17-30)37(55,56)57)31-18-26(38(58,59)60)11-27(19-31)39(61,62)63/h8-19H,1-7H2.
What are the key properties of 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane has a molecular weight of 1012.54 g/mol, XLogP of 15.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylheptyl-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 18324362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).