CID 73091113

C29H33F6P2 — CID 73091113

IUPAC—
SMILESCC([C]1[CH][CH][CH][C]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C29H33F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h8-19H,1-7H3
InChIKeyUDHCWLXATOQMHB-UHFFFAOYSA-N
MW557.52 g/mol
LogP9.36
Rot. Bonds5

About CID 73091113

CID 73091113 (PubChem CID 73091113) has the molecular formula C29H33F6P2 and a molecular weight of 557.52 g/mol.

Molecular Properties

Compound NameCID 73091113
PubChem CID73091113
Molecular FormulaC29H33F6P2
Molecular Weight557.52 g/mol
Exact Mass557.20
IUPAC Name—
SMILESCC([C]1[CH][CH][CH][C]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C29H33F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h8-19H,1-7H3
InChIKeyUDHCWLXATOQMHB-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.52
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 73091113 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

CID 11285543
CID 11285543
CID 11815671
CID 11815671
CID 11787474
CID 11787474
CID 134992494
CID 134992494
CID 91844908
CID 91844908
[4-[bromo(difluoro)methyl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 164667183
CID 11051045
CID 11051045
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
[(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)
CID 155882722
CID 11498923
CID 11498923
(2S)-1-[(1S)-1-(DICYCLOHEXYLPHOSPHINO)ETHYL]-2-(DIPHENYLPHOSPHINO)FERROCENE
CID 166639520
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071

Frequently Asked Questions

What is the IUPAC name of CID 73091113?
The IUPAC name of CID 73091113 (CID 73091113) is not available.
What is the SMILES notation for CID 73091113?
The canonical SMILES for CID 73091113 is CC([C]1[CH][CH][CH][C]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 73091113?
The InChIKey is UDHCWLXATOQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F6P2/c1-19(37(26(2,3)4)27(5,6)7)24-9-8-10-25(24)36(22-15-11-20(12-16-22)28(30,31)32)23-17-13-21(14-18-23)29(33,34)35/h8-19H,1-7H3.
What are the key properties of CID 73091113?
CID 73091113 has a molecular weight of 557.52 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73091113 is sourced from PubChem (CID 73091113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).