2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C35H23F6OP — CID 46703860

IUPAC2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C35H23F6OP/c36-34(37,38)33(42,35(39,40)41)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)43(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,42H
InChIKeyFCHWSWGGVNWMBB-UHFFFAOYSA-N
MW604.53 g/mol
LogP8.73
Rot. Bonds5

About 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 46703860) has the molecular formula C35H23F6OP and a molecular weight of 604.53 g/mol. Its IUPAC name is 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID46703860
Molecular FormulaC35H23F6OP
Molecular Weight604.53 g/mol
Exact Mass604.14
IUPAC Name2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C35H23F6OP/c36-34(37,38)33(42,35(39,40)41)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)43(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,42H
InChIKeyFCHWSWGGVNWMBB-UHFFFAOYSA-N
XLogP8.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.53
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol 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

Benzo(a)pyrene-6-methanol
CID 30544
7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
Alpha,alpha-diphenyl-1-naphthalenemethanol
CID 238209
Dibenzo(def,mno)chrysene-6-methanol
CID 149704
2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 103802
(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 2724111
(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
CID 7006444
10-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 159823
Tribiphenyl-4-ylmethanol
CID 219999
3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole
CID 3857608
7-Hydroxy-7,8-dihydrobenzo(a)pyrene, (+-)-
CID 56744
1,2,3,4-Tetrahydro-5-chrysenemethanol
CID 51318

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 46703860) is 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FCHWSWGGVNWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F6OP/c36-34(37,38)33(42,35(39,40)41)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)43(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,42H.
What are the key properties of 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 604.53 g/mol, XLogP of 8.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 46703860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).