4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline

C37H33F7N2 — CID 20637548

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,39)36(40,41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3
InChIKeyBILNRLYFSFMUQR-UHFFFAOYSA-N
MW638.67 g/mol
LogP11.64
Rot. Bonds9

About 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline

4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 20637548) has the molecular formula C37H33F7N2 and a molecular weight of 638.67 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
PubChem CID20637548
Molecular FormulaC37H33F7N2
Molecular Weight638.67 g/mol
Exact Mass638.25
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,39)36(40,41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3
InChIKeyBILNRLYFSFMUQR-UHFFFAOYSA-N
XLogP11.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.67
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline 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

9,12,15,29,32,35,42,44-Octazaheptacyclo[35.3.1.13,7.14,40.117,21.120,24.123,27]hexatetraconta-1(40),2,4(42),5,7(46),17(45),18,20(44),21,23,25,27(43),37(41),38-tetradecaene
CID 9986244
N-[2-(dimethylamino)ethyl]-2-(2-naphtyl)quinolin-4-amine
CID 10020216
4-(1-Piperidin-2-ylethyl)-2,8-bis(trifluoromethyl)quinoline
CID 21354740
N',N'-dimethyl-N-(2-phenanthren-3-ylquinolin-4-yl)ethane-1,2-diamine
CID 44297153
N',N'-dimethyl-N-(2-naphthalen-2-yl-6-phenylquinolin-4-yl)ethane-1,2-diamine
CID 44421958
N-(2-acridin-9-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 46230710
N-(naphthalen-1-ylmethyl)-2-(3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)ethanamine;hydrochloride
CID 71720067
2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
CID 44450488
{2-[2,5-Bis(trifluoromethyl)phenyl](4-quinolyl)}[3-(4-piperidylmethyl)phenyl]amine
CID 141703838
N',N'-dimethyl-N-(2-phenanthren-1-ylquinolin-4-yl)ethane-1,2-diamine
CID 44352043
2-(2,6-diethylphenyl)-4-ethyl-N-methyl-N-(naphthalen-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-5-amine
CID 44450456
N-[[10-[[3-(dimethylamino)propylamino]methyl]naphtho[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 168280084

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline (CID 20637548) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is BILNRLYFSFMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F7N2/c1-22(2)29-20-26(35(38,39)36(40,41)37(42,43)44)21-30(23(3)4)34(29)46-33(25-13-6-5-7-14-25)32-19-11-18-31(45-32)28-17-10-15-24-12-8-9-16-27(24)28/h5-23,33,46H,1-4H3.
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline?
4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 638.67 g/mol, XLogP of 11.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 20637548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).