4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol

C133H162N8O5S7 — CID 157193604

IUPAC4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol
SMILESCC(C)(C)c1cc(SCN(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCN2c3ccccc3Cc3cc4c(cc32)Sc2ccccc2N4)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCNc2ccc3c(c2)Cc2ccccc2N3)cc(C(C)(C)C)c1O.CCc1ccc2c(c1)Sc1cc(NCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc1N2
InChIInChI=1S/C42H56N2O2S2.C34H36N2OS2.C29H36N2OS2.C28H34N2OS/c1-39(2,3)33-22-31(23-34(37(33)45)40(4,5)6)47-26-44(30-20-18-29(19-21-30)43-28-16-14-13-15-17-28)27-48-32-24-35(41(7,8)9)38(46)36(25-32)42(10,11)12;1-33(2,3)24-17-23(18-25(32(24)37)34(4,5)6)38-20-36-28-13-9-7-11-21(28)15-22-16-27-31(19-29(22)36)39-30-14-10-8-12-26(30)35-27;1-8-18-9-11-23-25(13-18)34-26-14-19(10-12-24(26)31-23)30-17-33-20-15-21(28(2,3)4)27(32)22(16-20)29(5,6)7;1-27(2,3)22-15-21(16-23(26(22)31)28(4,5)6)32-17-29-20-11-12-25-19(14-20)13-18-9-7-8-10-24(18)30-25/h13-25,43,45-46H,26-27H2,1-12H3;7-14,16-19,35,37H,15,20H2,1-6H3;9-16,30-32H,8,17H2,1-7H3;7-12,14-16,29-31H,13,17H2,1-6H3
InChIKeyAPZGHMCDJYTVCR-UHFFFAOYSA-N
MW2177.28 g/mol
LogP39.04
Rot. Bonds21

About 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol

4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol (PubChem CID 157193604) has the molecular formula C133H162N8O5S7 and a molecular weight of 2177.28 g/mol. Its IUPAC name is 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol
PubChem CID157193604
Molecular FormulaC133H162N8O5S7
Molecular Weight2177.28 g/mol
Exact Mass2175.07
IUPAC Name4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol
SMILESCC(C)(C)c1cc(SCN(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCN2c3ccccc3Cc3cc4c(cc32)Sc2ccccc2N4)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCNc2ccc3c(c2)Cc2ccccc2N3)cc(C(C)(C)C)c1O.CCc1ccc2c(c1)Sc1cc(NCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc1N2
InChIInChI=1S/C42H56N2O2S2.C34H36N2OS2.C29H36N2OS2.C28H34N2OS/c1-39(2,3)33-22-31(23-34(37(33)45)40(4,5)6)47-26-44(30-20-18-29(19-21-30)43-28-16-14-13-15-17-28)27-48-32-24-35(41(7,8)9)38(46)36(25-32)42(10,11)12;1-33(2,3)24-17-23(18-25(32(24)37)34(4,5)6)38-20-36-28-13-9-7-11-21(28)15-22-16-27-31(19-29(22)36)39-30-14-10-8-12-26(30)35-27;1-8-18-9-11-23-25(13-18)34-26-14-19(10-12-24(26)31-23)30-17-33-20-15-21(28(2,3)4)27(32)22(16-20)29(5,6)7;1-27(2,3)22-15-21(16-23(26(22)31)28(4,5)6)32-17-29-20-11-12-25-19(14-20)13-18-9-7-8-10-24(18)30-25/h13-25,43,45-46H,26-27H2,1-12H3;7-14,16-19,35,37H,15,20H2,1-6H3;9-16,30-32H,8,17H2,1-7H3;7-12,14-16,29-31H,13,17H2,1-6H3
InChIKeyAPZGHMCDJYTVCR-UHFFFAOYSA-N
XLogP39.04
TPSA179.81 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.28
LogP ≤ 539.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol?
The IUPAC name of 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol (CID 157193604) is 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol?
The canonical SMILES for 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol is CC(C)(C)c1cc(SCN(CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCN2c3ccccc3Cc3cc4c(cc32)Sc2ccccc2N4)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(SCNc2ccc3c(c2)Cc2ccccc2N3)cc(C(C)(C)C)c1O.CCc1ccc2c(c1)Sc1cc(NCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc1N2.
What is the InChIKey of 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol?
The InChIKey is APZGHMCDJYTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56N2O2S2.C34H36N2OS2.C29H36N2OS2.C28H34N2OS/c1-39(2,3)33-22-31(23-34(37(33)45)40(4,5)6)47-26-44(30-20-18-29(19-21-30)43-28-16-14-13-15-17-28)27-48-32-24-35(41(7,8)9)38(46)36(25-32)42(10,11)12;1-33(2,3)24-17-23(18-25(32(24)37)34(4,5)6)38-20-36-28-13-9-7-11-21(28)15-22-16-27-31(19-29(22)36)39-30-14-10-8-12-26(30)35-27;1-8-18-9-11-23-25(13-18)34-26-14-19(10-12-24(26)31-23)30-17-33-20-15-21(28(2,3)4)27(32)22(16-20)29(5,6)7;1-27(2,3)22-15-21(16-23(26(22)31)28(4,5)6)32-17-29-20-11-12-25-19(14-20)13-18-9-7-8-10-24(18)30-25/h13-25,43,45-46H,26-27H2,1-12H3;7-14,16-19,35,37H,15,20H2,1-6H3;9-16,30-32H,8,17H2,1-7H3;7-12,14-16,29-31H,13,17H2,1-6H3.
What are the key properties of 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol?
4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol has a molecular weight of 2177.28 g/mol, XLogP of 39.04, 21 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]anilino]methylsulfanyl]-2,6-ditert-butylphenol;2,6-ditert-butyl-4-[(9,10-dihydroacridin-2-ylamino)methylsulfanyl]phenol;2,6-ditert-butyl-4-(12,14-dihydroquinolino[3,2-b]phenothiazin-5-ylmethylsulfanyl)phenol;2,6-ditert-butyl-4-[[(7-ethyl-10H-phenothiazin-3-yl)amino]methylsulfanyl]phenol is sourced from PubChem (CID 157193604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).