N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate

C87H56F6N2O12S2 — CID 157101814

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate
SMILESCc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.O=S(=O)(OOOS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C43H29NO2.C42H27NO3.C2F6O7S2/c1-28-16-22-31(23-17-28)44(32-24-18-29(19-25-32)34-10-6-12-38-36-8-2-4-14-40(36)45-42(34)38)33-26-20-30(21-27-33)35-11-7-13-39-37-9-3-5-15-41(37)46-43(35)39;44-32-25-23-31(24-26-32)43(29-19-15-27(16-20-29)33-9-5-11-37-35-7-1-3-13-39(35)45-41(33)37)30-21-17-28(18-22-30)34-10-6-12-38-36-8-2-4-14-40(36)46-42(34)38;3-1(4,5)16(9,10)14-13-15-17(11,12)2(6,7)8/h2-27H,1H3;1-26,44H;
InChIKeyAFVRFMHDDDONCH-UHFFFAOYSA-N
MW1499.53 g/mol
LogP25.16
Rot. Bonds14

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate (PubChem CID 157101814) has the molecular formula C87H56F6N2O12S2 and a molecular weight of 1499.53 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate
PubChem CID157101814
Molecular FormulaC87H56F6N2O12S2
Molecular Weight1499.53 g/mol
Exact Mass1498.32
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate
SMILESCc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.O=S(=O)(OOOS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C43H29NO2.C42H27NO3.C2F6O7S2/c1-28-16-22-31(23-17-28)44(32-24-18-29(19-25-32)34-10-6-12-38-36-8-2-4-14-40(36)45-42(34)38)33-26-20-30(21-27-33)35-11-7-13-39-37-9-3-5-15-41(37)46-43(35)39;44-32-25-23-31(24-26-32)43(29-19-15-27(16-20-29)33-9-5-11-37-35-7-1-3-13-39(35)45-41(33)37)30-21-17-28(18-22-30)34-10-6-12-38-36-8-2-4-14-40(36)46-42(34)38;3-1(4,5)16(9,10)14-13-15-17(11,12)2(6,7)8/h2-27H,1H3;1-26,44H;
InChIKeyAFVRFMHDDDONCH-UHFFFAOYSA-N
XLogP25.16
TPSA175.24 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001499.53
LogP ≤ 525.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol
CID 118214703
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
CID 155119877
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate (CID 157101814) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate is Cc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.O=S(=O)(OOOS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate?
The InChIKey is AFVRFMHDDDONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO2.C42H27NO3.C2F6O7S2/c1-28-16-22-31(23-17-28)44(32-24-18-29(19-25-32)34-10-6-12-38-36-8-2-4-14-40(36)45-42(34)38)33-26-20-30(21-27-33)35-11-7-13-39-37-9-3-5-15-41(37)46-43(35)39;44-32-25-23-31(24-26-32)43(29-19-15-27(16-20-29)33-9-5-11-37-35-7-1-3-13-39(35)45-41(33)37)30-21-17-28(18-22-30)34-10-6-12-38-36-8-2-4-14-40(36)46-42(34)38;3-1(4,5)16(9,10)14-13-15-17(11,12)2(6,7)8/h2-27H,1H3;1-26,44H;.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate has a molecular weight of 1499.53 g/mol, XLogP of 25.16, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-methylaniline;4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenol;trifluoromethylsulfonylperoxy trifluoromethanesulfonate is sourced from PubChem (CID 157101814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).