[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol

C57H68O — CID 129198938

IUPAC[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol
SMILESCc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4c(C)c(C)cc(C)c4C)c(CO)c(-c4c(C)c(C)cc(C)c4C)c3)cc(-c3c(C)c(C)cc(C)c3C)c2C)c1C
InChIInChI=1S/C57H68O/c1-29-20-30(2)38(10)53(37(29)9)48-24-46(25-49(45(48)17)54-39(11)31(3)21-32(4)40(54)12)57(18,19)47-26-50(55-41(13)33(5)22-34(6)42(55)14)52(28-58)51(27-47)56-43(15)35(7)23-36(8)44(56)16/h20-27,58H,28H2,1-19H3
InChIKeyBZBAAIPXYYVKMH-UHFFFAOYSA-N
MW769.17 g/mol
LogP15.42
Rot. Bonds7

About [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol

[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol (PubChem CID 129198938) has the molecular formula C57H68O and a molecular weight of 769.17 g/mol. Its IUPAC name is [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol
PubChem CID129198938
Molecular FormulaC57H68O
Molecular Weight769.17 g/mol
Exact Mass768.53
IUPAC Name[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol
SMILESCc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4c(C)c(C)cc(C)c4C)c(CO)c(-c4c(C)c(C)cc(C)c4C)c3)cc(-c3c(C)c(C)cc(C)c3C)c2C)c1C
InChIInChI=1S/C57H68O/c1-29-20-30(2)38(10)53(37(29)9)48-24-46(25-49(45(48)17)54-39(11)31(3)21-32(4)40(54)12)57(18,19)47-26-50(55-41(13)33(5)22-34(6)42(55)14)52(28-58)51(27-47)56-43(15)35(7)23-36(8)44(56)16/h20-27,58H,28H2,1-19H3
InChIKeyBZBAAIPXYYVKMH-UHFFFAOYSA-N
XLogP15.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.17
LogP ≤ 515.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?
The IUPAC name of [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol (CID 129198938) is [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol.
What is the SMILES notation for [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?
The canonical SMILES for [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol is Cc1cc(C)c(C)c(-c2cc(C(C)(C)c3cc(-c4c(C)c(C)cc(C)c4C)c(CO)c(-c4c(C)c(C)cc(C)c4C)c3)cc(-c3c(C)c(C)cc(C)c3C)c2C)c1C.
What is the InChIKey of [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?
The InChIKey is BZBAAIPXYYVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O/c1-29-20-30(2)38(10)53(37(29)9)48-24-46(25-49(45(48)17)54-39(11)31(3)21-32(4)40(54)12)57(18,19)47-26-50(55-41(13)33(5)22-34(6)42(55)14)52(28-58)51(27-47)56-43(15)35(7)23-36(8)44(56)16/h20-27,58H,28H2,1-19H3.
What are the key properties of [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol?
[4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol has a molecular weight of 769.17 g/mol, XLogP of 15.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-methyl-3,5-bis(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2,6-bis(2,3,5,6-tetramethylphenyl)phenyl]methanol is sourced from PubChem (CID 129198938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).