[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol

C43H31BrO — CID 138723827

IUPAC[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C43H31BrO/c44-40-25-26-41(42(30-40)43(45,38-17-9-3-10-18-38)39-19-11-4-12-20-39)37-28-35(32-15-7-2-8-16-32)27-36(29-37)34-23-21-33(22-24-34)31-13-5-1-6-14-31/h1-30,45H
InChIKeyGJMGLYFFEPHWQE-UHFFFAOYSA-N
MW643.62 g/mol
LogP11.40
Rot. Bonds7

About [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol

[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol (PubChem CID 138723827) has the molecular formula C43H31BrO and a molecular weight of 643.62 g/mol. Its IUPAC name is [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
PubChem CID138723827
Molecular FormulaC43H31BrO
Molecular Weight643.62 g/mol
Exact Mass642.16
IUPAC Name[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C43H31BrO/c44-40-25-26-41(42(30-40)43(45,38-17-9-3-10-18-38)39-19-11-4-12-20-39)37-28-35(32-15-7-2-8-16-32)27-36(29-37)34-23-21-33(22-24-34)31-13-5-1-6-14-31/h1-30,45H
InChIKeyGJMGLYFFEPHWQE-UHFFFAOYSA-N
XLogP11.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.62
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol?
The IUPAC name of [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol (CID 138723827) is [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol.
What is the SMILES notation for [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol?
The canonical SMILES for [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol?
The InChIKey is GJMGLYFFEPHWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31BrO/c44-40-25-26-41(42(30-40)43(45,38-17-9-3-10-18-38)39-19-11-4-12-20-39)37-28-35(32-15-7-2-8-16-32)27-36(29-37)34-23-21-33(22-24-34)31-13-5-1-6-14-31/h1-30,45H.
What are the key properties of [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol?
[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol has a molecular weight of 643.62 g/mol, XLogP of 11.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol is sourced from PubChem (CID 138723827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).