2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline

C198H195N6O15P5S5 — CID 158241386

IUPAC2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(-c2cc(P(=O)(O)O)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CC(C)(C)c1ccc(-c2cc(P(=O)(Oc3ccccc3)Oc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CCCCOP(=O)(OCCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCOP(=O)(OCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCOP(=O)(OCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H47N2O3PS.C46H43N2O3PS.C44H39N2O3PS.C36H37O3PS.C24H29O3PS/c1-3-5-35-52-54(51,53-36-6-4-2)46-37-47(38-27-31-44(32-28-38)49(40-19-11-7-12-20-40)41-21-13-8-14-22-41)55-48(46)39-29-33-45(34-30-39)50(42-23-15-9-16-24-42)43-25-17-10-18-26-43;1-3-33-50-52(49,51-34-4-2)44-35-45(36-25-29-42(30-26-36)47(38-17-9-5-10-18-38)39-19-11-6-12-20-39)53-46(44)37-27-31-43(32-28-37)48(40-21-13-7-14-22-40)41-23-15-8-16-24-41;1-3-48-50(47,49-4-2)42-33-43(34-25-29-40(30-26-34)45(36-17-9-5-10-18-36)37-19-11-6-12-20-37)51-44(42)35-27-31-41(32-28-35)46(38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-35(2,3)28-21-17-26(18-22-28)33-25-32(34(41-33)27-19-23-29(24-20-27)36(4,5)6)40(37,38-30-13-9-7-10-14-30)39-31-15-11-8-12-16-31;1-23(2,3)18-11-7-16(8-12-18)21-15-20(28(25,26)27)22(29-21)17-9-13-19(14-10-17)24(4,5)6/h7-34,37H,3-6,35-36H2,1-2H3;5-32,35H,3-4,33-34H2,1-2H3;5-33H,3-4H2,1-2H3;7-25H,1-6H3;7-15H,1-6H3,(H2,25,26,27)
InChIKeyGFOSVLTXWOBVRL-UHFFFAOYSA-N
MW3213.97 g/mol
LogP58.21
Rot. Bonds55

About 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline

2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline (PubChem CID 158241386) has the molecular formula C198H195N6O15P5S5 and a molecular weight of 3213.97 g/mol. Its IUPAC name is 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline
PubChem CID158241386
Molecular FormulaC198H195N6O15P5S5
Molecular Weight3213.97 g/mol
Exact Mass3211.20
IUPAC Name2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(-c2cc(P(=O)(O)O)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CC(C)(C)c1ccc(-c2cc(P(=O)(Oc3ccccc3)Oc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CCCCOP(=O)(OCCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCOP(=O)(OCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCOP(=O)(OCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H47N2O3PS.C46H43N2O3PS.C44H39N2O3PS.C36H37O3PS.C24H29O3PS/c1-3-5-35-52-54(51,53-36-6-4-2)46-37-47(38-27-31-44(32-28-38)49(40-19-11-7-12-20-40)41-21-13-8-14-22-41)55-48(46)39-29-33-45(34-30-39)50(42-23-15-9-16-24-42)43-25-17-10-18-26-43;1-3-33-50-52(49,51-34-4-2)44-35-45(36-25-29-42(30-26-36)47(38-17-9-5-10-18-38)39-19-11-6-12-20-39)53-46(44)37-27-31-43(32-28-37)48(40-21-13-7-14-22-40)41-23-15-8-16-24-41;1-3-48-50(47,49-4-2)42-33-43(34-25-29-40(30-26-34)45(36-17-9-5-10-18-36)37-19-11-6-12-20-37)51-44(42)35-27-31-41(32-28-35)46(38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-35(2,3)28-21-17-26(18-22-28)33-25-32(34(41-33)27-19-23-29(24-20-27)36(4,5)6)40(37,38-30-13-9-7-10-14-30)39-31-15-11-8-12-16-31;1-23(2,3)18-11-7-16(8-12-18)21-15-20(28(25,26)27)22(29-21)17-9-13-19(14-10-17)24(4,5)6/h7-34,37H,3-6,35-36H2,1-2H3;5-32,35H,3-4,33-34H2,1-2H3;5-33H,3-4H2,1-2H3;7-25H,1-6H3;7-15H,1-6H3,(H2,25,26,27)
InChIKeyGFOSVLTXWOBVRL-UHFFFAOYSA-N
XLogP58.21
TPSA219.09 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds55
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003213.97
LogP ≤ 558.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-[4-diphenoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline
CID 59155891
2,5-bis(4-tert-butylphenyl)-3-dipropoxyphosphorylthiophene
CID 59155818
3-didecoxyphosphoryl-2,5-dinaphthalen-1-ylthiophene
CID 59155835
hexyl phenyl hydrogen phosphate
CID 66863526
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
4-[3,4-diethoxy-5-[4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-phenoxyphenyl)aniline
CID 123519117
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene
CID 159991236
2,5-bis[6-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenoxy]hexoxy]terephthalic acid
CID 129047046

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline?
The IUPAC name of 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline (CID 158241386) is 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline is CC(C)(C)c1ccc(-c2cc(P(=O)(O)O)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CC(C)(C)c1ccc(-c2cc(P(=O)(Oc3ccccc3)Oc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)s2)cc1.CCCCOP(=O)(OCCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCOP(=O)(OCCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCOP(=O)(OCC)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline?
The InChIKey is GFOSVLTXWOBVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47N2O3PS.C46H43N2O3PS.C44H39N2O3PS.C36H37O3PS.C24H29O3PS/c1-3-5-35-52-54(51,53-36-6-4-2)46-37-47(38-27-31-44(32-28-38)49(40-19-11-7-12-20-40)41-21-13-8-14-22-41)55-48(46)39-29-33-45(34-30-39)50(42-23-15-9-16-24-42)43-25-17-10-18-26-43;1-3-33-50-52(49,51-34-4-2)44-35-45(36-25-29-42(30-26-36)47(38-17-9-5-10-18-38)39-19-11-6-12-20-39)53-46(44)37-27-31-43(32-28-37)48(40-21-13-7-14-22-40)41-23-15-8-16-24-41;1-3-48-50(47,49-4-2)42-33-43(34-25-29-40(30-26-34)45(36-17-9-5-10-18-36)37-19-11-6-12-20-37)51-44(42)35-27-31-41(32-28-35)46(38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-35(2,3)28-21-17-26(18-22-28)33-25-32(34(41-33)27-19-23-29(24-20-27)36(4,5)6)40(37,38-30-13-9-7-10-14-30)39-31-15-11-8-12-16-31;1-23(2,3)18-11-7-16(8-12-18)21-15-20(28(25,26)27)22(29-21)17-9-13-19(14-10-17)24(4,5)6/h7-34,37H,3-6,35-36H2,1-2H3;5-32,35H,3-4,33-34H2,1-2H3;5-33H,3-4H2,1-2H3;7-25H,1-6H3;7-15H,1-6H3,(H2,25,26,27).
What are the key properties of 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline?
2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline has a molecular weight of 3213.97 g/mol, XLogP of 58.21, 55 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-tert-butylphenyl)-3-diphenoxyphosphorylthiophene;[2,5-bis(4-tert-butylphenyl)thiophen-3-yl]phosphonic acid;4-[4-dibutoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-diethoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;4-[4-dipropoxyphosphoryl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 158241386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).