[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol

C59H48O3 — CID 153299511

IUPAC[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
SMILESCC(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H48O3/c1-56(44-32-38-53(39-33-44)57(60,47-20-8-2-9-21-47)48-22-10-3-11-23-48,45-34-40-54(41-35-45)58(61,49-24-12-4-13-25-49)50-26-14-5-15-27-50)46-36-42-55(43-37-46)59(62,51-28-16-6-17-29-51)52-30-18-7-19-31-52/h2-43,60-62H,1H3
InChIKeyQDRKILFDHIVCPT-UHFFFAOYSA-N
MW805.03 g/mol
LogP11.89
Rot. Bonds12

About [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol

[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol (PubChem CID 153299511) has the molecular formula C59H48O3 and a molecular weight of 805.03 g/mol. Its IUPAC name is [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
PubChem CID153299511
Molecular FormulaC59H48O3
Molecular Weight805.03 g/mol
Exact Mass804.36
IUPAC Name[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
SMILESCC(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H48O3/c1-56(44-32-38-53(39-33-44)57(60,47-20-8-2-9-21-47)48-22-10-3-11-23-48,45-34-40-54(41-35-45)58(61,49-24-12-4-13-25-49)50-26-14-5-15-27-50)46-36-42-55(43-37-46)59(62,51-28-16-6-17-29-51)52-30-18-7-19-31-52/h2-43,60-62H,1H3
InChIKeyQDRKILFDHIVCPT-UHFFFAOYSA-N
XLogP11.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.03
LogP ≤ 511.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;triphenylmethanol
CID 174537383
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
[4-[hydroxy-phenyl-[4-(trimethylazaniumyl)phenyl]methyl]phenyl]-trimethylazanium diperchlorate
CID 44888197
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
ethoxyethane;triphenylmethanol
CID 70428584
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
1-(1,1-diphenylethyl)-4-nitrosobenzene
CID 155112737
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941

Frequently Asked Questions

What is the IUPAC name of [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol?
The IUPAC name of [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol (CID 153299511) is [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol.
What is the SMILES notation for [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol?
The canonical SMILES for [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol is CC(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol?
The InChIKey is QDRKILFDHIVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48O3/c1-56(44-32-38-53(39-33-44)57(60,47-20-8-2-9-21-47)48-22-10-3-11-23-48,45-34-40-54(41-35-45)58(61,49-24-12-4-13-25-49)50-26-14-5-15-27-50)46-36-42-55(43-37-46)59(62,51-28-16-6-17-29-51)52-30-18-7-19-31-52/h2-43,60-62H,1H3.
What are the key properties of [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol?
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol has a molecular weight of 805.03 g/mol, XLogP of 11.89, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol is sourced from PubChem (CID 153299511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).