N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline

C48H46F6N2 — CID 143635406

IUPACN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4ccc(C(C)(CC)CC)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H46F6N2/c1-5-14-35-19-27-41(28-20-35)55(39-15-10-8-11-16-39)43-31-23-37(24-32-43)46(47(49,50)51,48(52,53)54)38-25-33-44(34-26-38)56(40-17-12-9-13-18-40)42-29-21-36(22-30-42)45(4,6-2)7-3/h8-13,15-34H,5-7,14H2,1-4H3
InChIKeyPWXOMJPNEVENOY-UHFFFAOYSA-N
MW764.90 g/mol
LogP15.07
Rot. Bonds13

About N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline

N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline (PubChem CID 143635406) has the molecular formula C48H46F6N2 and a molecular weight of 764.90 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline.

Molecular Properties

Compound NameN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline
PubChem CID143635406
Molecular FormulaC48H46F6N2
Molecular Weight764.90 g/mol
Exact Mass764.36
IUPAC NameN-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline
SMILESCCCc1ccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4ccc(C(C)(CC)CC)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H46F6N2/c1-5-14-35-19-27-41(28-20-35)55(39-15-10-8-11-16-39)43-31-23-37(24-32-43)46(47(49,50)51,48(52,53)54)38-25-33-44(34-26-38)56(40-17-12-9-13-18-40)42-29-21-36(22-30-42)45(4,6-2)7-3/h8-13,15-34H,5-7,14H2,1-4H3
InChIKeyPWXOMJPNEVENOY-UHFFFAOYSA-N
XLogP15.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.90
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline with MolForge

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Related Compounds

4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
CID 129147379
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58986519
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline?
The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline (CID 143635406) is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline.
What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline?
The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline is CCCc1ccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4ccc(C(C)(CC)CC)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline?
The InChIKey is PWXOMJPNEVENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46F6N2/c1-5-14-35-19-27-41(28-20-35)55(39-15-10-8-11-16-39)43-31-23-37(24-32-43)46(47(49,50)51,48(52,53)54)38-25-33-44(34-26-38)56(40-17-12-9-13-18-40)42-29-21-36(22-30-42)45(4,6-2)7-3/h8-13,15-34H,5-7,14H2,1-4H3.
What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline?
N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline has a molecular weight of 764.90 g/mol, XLogP of 15.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline is sourced from PubChem (CID 143635406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).