4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline

C36H31F4NO2 — CID 147431609

IUPAC4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline
SMILESCC(F)C(F)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(O[C@H](F)C(C)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H31F4NO2/c1-24(37)35(39)42-33-20-12-28(13-21-33)26-8-16-31(17-9-26)41(30-6-4-3-5-7-30)32-18-10-27(11-19-32)29-14-22-34(23-15-29)43-36(40)25(2)38/h3-25,35-36H,1-2H3/t24?,25?,35-,36?/m0/s1
InChIKeyDULIAORNRWPCNS-HRMWXSCXSA-N
MW585.64 g/mol
LogP10.56
Rot. Bonds11

About 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline

4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline (PubChem CID 147431609) has the molecular formula C36H31F4NO2 and a molecular weight of 585.64 g/mol. Its IUPAC name is 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline
PubChem CID147431609
Molecular FormulaC36H31F4NO2
Molecular Weight585.64 g/mol
Exact Mass585.23
IUPAC Name4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline
SMILESCC(F)C(F)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(O[C@H](F)C(C)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H31F4NO2/c1-24(37)35(39)42-33-20-12-28(13-21-33)26-8-16-31(17-9-26)41(30-6-4-3-5-7-30)32-18-10-27(11-19-32)29-14-22-34(23-15-29)43-36(40)25(2)38/h3-25,35-36H,1-2H3/t24?,25?,35-,36?/m0/s1
InChIKeyDULIAORNRWPCNS-HRMWXSCXSA-N
XLogP10.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3-trityloxyphenyl)penta-1,4-dien-3-one
CID 54580170
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
CID 2825080
4-[[4-(difluoromethoxy)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 2825081
2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
CID 127048622
N-[4-[(E)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
CID 127048624
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
VZ5W2L7WL6
CID 134562587
2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
CID 127048623
N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
CID 127052975
4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
CID 171356106

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline (CID 147431609) is 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline is CC(F)C(F)Oc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(O[C@H](F)C(C)F)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline?
The InChIKey is DULIAORNRWPCNS-HRMWXSCXSA-N. The full InChI is InChI=1S/C36H31F4NO2/c1-24(37)35(39)42-33-20-12-28(13-21-33)26-8-16-31(17-9-26)41(30-6-4-3-5-7-30)32-18-10-27(11-19-32)29-14-22-34(23-15-29)43-36(40)25(2)38/h3-25,35-36H,1-2H3/t24?,25?,35-,36?/m0/s1.
What are the key properties of 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline?
4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline has a molecular weight of 585.64 g/mol, XLogP of 10.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 147431609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).