1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine

C46H28F8N2O2 — CID 142500795

IUPAC1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
SMILESFC1(F)OC(F)(F)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)C(F)(F)OC7(F)F)c5)c4)c3)ccc21
InChIInChI=1S/C46H28F8N2O2/c47-43(48)39-22-20-31(26-41(39)45(51,52)57-43)29-10-7-16-35(24-29)55(33-12-3-1-4-13-33)37-18-9-19-38(28-37)56(34-14-5-2-6-15-34)36-17-8-11-30(25-36)32-21-23-40-42(27-32)46(53,54)58-44(40,49)50/h1-28H
InChIKeyYXKFPNURALVCDV-UHFFFAOYSA-N
MW792.73 g/mol
LogP14.22
Rot. Bonds8

About 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine

1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine (PubChem CID 142500795) has the molecular formula C46H28F8N2O2 and a molecular weight of 792.73 g/mol. Its IUPAC name is 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
PubChem CID142500795
Molecular FormulaC46H28F8N2O2
Molecular Weight792.73 g/mol
Exact Mass792.20
IUPAC Name1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
SMILESFC1(F)OC(F)(F)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)C(F)(F)OC7(F)F)c5)c4)c3)ccc21
InChIInChI=1S/C46H28F8N2O2/c47-43(48)39-22-20-31(26-41(39)45(51,52)57-43)29-10-7-16-35(24-29)55(33-12-3-1-4-13-33)37-18-9-19-38(28-37)56(34-14-5-2-6-15-34)36-17-8-11-30(25-36)32-21-23-40-42(27-32)46(53,54)58-44(40,49)50/h1-28H
InChIKeyYXKFPNURALVCDV-UHFFFAOYSA-N
XLogP14.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.73
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
CID 142500441
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
CID 142500531
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine (CID 142500795) is 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine is FC1(F)OC(F)(F)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)C(F)(F)OC7(F)F)c5)c4)c3)ccc21.
What is the InChIKey of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine?
The InChIKey is YXKFPNURALVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F8N2O2/c47-43(48)39-22-20-31(26-41(39)45(51,52)57-43)29-10-7-16-35(24-29)55(33-12-3-1-4-13-33)37-18-9-19-38(28-37)56(34-14-5-2-6-15-34)36-17-8-11-30(25-36)32-21-23-40-42(27-32)46(53,54)58-44(40,49)50/h1-28H.
What are the key properties of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine?
1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine has a molecular weight of 792.73 g/mol, XLogP of 14.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 142500795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).