bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol

C34H26Br2O — CID 129138218

IUPACbis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C34H26Br2O/c1-33(2)30-9-5-4-8-28(30)29-20-11-22(21-32(29)33)27-7-3-6-10-31(27)34(37,23-12-16-25(35)17-13-23)24-14-18-26(36)19-15-24/h3-21,37H,1-2H3
InChIKeyVSSCZPYQOQXVFE-UHFFFAOYSA-N
MW610.39 g/mol
LogP9.47
Rot. Bonds4

About bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol

bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol (PubChem CID 129138218) has the molecular formula C34H26Br2O and a molecular weight of 610.39 g/mol. Its IUPAC name is bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol.

Molecular Properties

Compound Namebis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol
PubChem CID129138218
Molecular FormulaC34H26Br2O
Molecular Weight610.39 g/mol
Exact Mass608.04
IUPAC Namebis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C34H26Br2O/c1-33(2)30-9-5-4-8-28(30)29-20-11-22(21-32(29)33)27-7-3-6-10-31(27)34(37,23-12-16-25(35)17-13-23)24-14-18-26(36)19-15-24/h3-21,37H,1-2H3
InChIKeyVSSCZPYQOQXVFE-UHFFFAOYSA-N
XLogP9.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.39
LogP ≤ 59.47
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 bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol?
The IUPAC name of bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol (CID 129138218) is bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol.
What is the SMILES notation for bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol?
The canonical SMILES for bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol is CC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol?
The InChIKey is VSSCZPYQOQXVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Br2O/c1-33(2)30-9-5-4-8-28(30)29-20-11-22(21-32(29)33)27-7-3-6-10-31(27)34(37,23-12-16-25(35)17-13-23)24-14-18-26(36)19-15-24/h3-21,37H,1-2H3.
What are the key properties of bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol?
bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol has a molecular weight of 610.39 g/mol, XLogP of 9.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol is sourced from PubChem (CID 129138218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).