[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol

C27H22Br2O — CID 58371116

IUPAC[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol
SMILESCc1cccc(C(O)(c2cccc(C)c2)c2cc(Br)ccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C27H22Br2O/c1-18-5-3-7-21(15-18)27(30,22-8-4-6-19(2)16-22)26-17-24(29)13-14-25(26)20-9-11-23(28)12-10-20/h3-17,30H,1-2H3
InChIKeyNRRZLSWRKOLKGH-UHFFFAOYSA-N
MW522.28 g/mol
LogP7.78
Rot. Bonds4

About [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol

[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol (PubChem CID 58371116) has the molecular formula C27H22Br2O and a molecular weight of 522.28 g/mol. Its IUPAC name is [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol
PubChem CID58371116
Molecular FormulaC27H22Br2O
Molecular Weight522.28 g/mol
Exact Mass520.00
IUPAC Name[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol
SMILESCc1cccc(C(O)(c2cccc(C)c2)c2cc(Br)ccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C27H22Br2O/c1-18-5-3-7-21(15-18)27(30,22-8-4-6-19(2)16-22)26-17-24(29)13-14-25(26)20-9-11-23(28)12-10-20/h3-17,30H,1-2H3
InChIKeyNRRZLSWRKOLKGH-UHFFFAOYSA-N
XLogP7.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.28
LogP ≤ 57.78
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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Related Compounds

[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
CID 138723827
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;ethane
CID 144877768
(4-bromophenyl)-[3-(10-phenylanthracen-9-yl)phenyl]-(2-phenylphenyl)methanol
CID 87107182
bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol
CID 129138218
bis(3-carbazol-9-ylphenyl)-(5-methyl-2-phenylphenyl)methanol;methane
CID 158084543
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
1,4-dibromo-2-(4-methylphenyl)benzene
CID 18458568
2-(4-bromophenyl)-4-methylphenol
CID 15169349
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol?
The IUPAC name of [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol (CID 58371116) is [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol.
What is the SMILES notation for [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol?
The canonical SMILES for [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol is Cc1cccc(C(O)(c2cccc(C)c2)c2cc(Br)ccc2-c2ccc(Br)cc2)c1.
What is the InChIKey of [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol?
The InChIKey is NRRZLSWRKOLKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Br2O/c1-18-5-3-7-21(15-18)27(30,22-8-4-6-19(2)16-22)26-17-24(29)13-14-25(26)20-9-11-23(28)12-10-20/h3-17,30H,1-2H3.
What are the key properties of [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol?
[5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol has a molecular weight of 522.28 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-bromophenyl)phenyl]-bis(3-methylphenyl)methanol is sourced from PubChem (CID 58371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).