[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol

C70H70O4S2 — CID 134955060

IUPAC[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(-c3ccccc3)c(C(O)c3c(C)cc(C)cc3C)cc2Sc2ccc(Sc3cc(C(O)c4c(C)cc(C)cc4C)c(-c4ccccc4)cc3C(O)c3c(C)cc(C)cc3C)cc2)c(C)c1
InChIInChI=1S/C70H70O4S2/c1-39-27-43(5)63(44(6)28-39)67(71)57-37-61(59(35-55(57)51-19-15-13-16-20-51)69(73)65-47(9)31-41(3)32-48(65)10)75-53-23-25-54(26-24-53)76-62-38-58(68(72)64-45(7)29-40(2)30-46(64)8)56(52-21-17-14-18-22-52)36-60(62)70(74)66-49(11)33-42(4)34-50(66)12/h13-38,67-74H,1-12H3
InChIKeyBMCGMPHICFZKAX-UHFFFAOYSA-N
MW1039.46 g/mol
LogP17.35
Rot. Bonds14

About [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol

[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol (PubChem CID 134955060) has the molecular formula C70H70O4S2 and a molecular weight of 1039.46 g/mol. Its IUPAC name is [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol
PubChem CID134955060
Molecular FormulaC70H70O4S2
Molecular Weight1039.46 g/mol
Exact Mass1038.47
IUPAC Name[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(-c3ccccc3)c(C(O)c3c(C)cc(C)cc3C)cc2Sc2ccc(Sc3cc(C(O)c4c(C)cc(C)cc4C)c(-c4ccccc4)cc3C(O)c3c(C)cc(C)cc3C)cc2)c(C)c1
InChIInChI=1S/C70H70O4S2/c1-39-27-43(5)63(44(6)28-39)67(71)57-37-61(59(35-55(57)51-19-15-13-16-20-51)69(73)65-47(9)31-41(3)32-48(65)10)75-53-23-25-54(26-24-53)76-62-38-58(68(72)64-45(7)29-40(2)30-46(64)8)56(52-21-17-14-18-22-52)36-60(62)70(74)66-49(11)33-42(4)34-50(66)12/h13-38,67-74H,1-12H3
InChIKeyBMCGMPHICFZKAX-UHFFFAOYSA-N
XLogP17.35
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.46
LogP ≤ 517.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol (CID 134955060) is [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(-c3ccccc3)c(C(O)c3c(C)cc(C)cc3C)cc2Sc2ccc(Sc3cc(C(O)c4c(C)cc(C)cc4C)c(-c4ccccc4)cc3C(O)c3c(C)cc(C)cc3C)cc2)c(C)c1.
What is the InChIKey of [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol?
The InChIKey is BMCGMPHICFZKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70O4S2/c1-39-27-43(5)63(44(6)28-39)67(71)57-37-61(59(35-55(57)51-19-15-13-16-20-51)69(73)65-47(9)31-41(3)32-48(65)10)75-53-23-25-54(26-24-53)76-62-38-58(68(72)64-45(7)29-40(2)30-46(64)8)56(52-21-17-14-18-22-52)36-60(62)70(74)66-49(11)33-42(4)34-50(66)12/h13-38,67-74H,1-12H3.
What are the key properties of [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol?
[5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol has a molecular weight of 1039.46 g/mol, XLogP of 17.35, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[2,5-bis[hydroxy-(2,4,6-trimethylphenyl)methyl]-4-phenylphenyl]sulfanylphenyl]sulfanyl-4-[hydroxy-(2,4,6-trimethylphenyl)methyl]-2-phenylphenyl]-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 134955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).