1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane

C25H22BrP — CID 87586907

IUPAC1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
SMILESBrCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.P
InChIInChI=1S/C25H19Br.H3P/c26-18-22-16-17-23(19-10-4-1-5-11-19)25(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20;/h1-17H,18H2;1H3
InChIKeyQNQHIPGCRQROPJ-UHFFFAOYSA-N
MW433.33 g/mol
LogP7.64
Rot. Bonds4

About 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane

1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane (PubChem CID 87586907) has the molecular formula C25H22BrP and a molecular weight of 433.33 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane.

Molecular Properties

Compound Name1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
PubChem CID87586907
Molecular FormulaC25H22BrP
Molecular Weight433.33 g/mol
Exact Mass432.06
IUPAC Name1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
SMILESBrCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.P
InChIInChI=1S/C25H19Br.H3P/c26-18-22-16-17-23(19-10-4-1-5-11-19)25(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20;/h1-17H,18H2;1H3
InChIKeyQNQHIPGCRQROPJ-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.33
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
CID 140515655
tris[2-(2,3,4-triphenylphenyl)ethyl] borate
CID 87803179
azane;(2,3,4-triphenylphenyl)methoxyboronic acid
CID 67925015
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene
CID 101421136
(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate
CID 142697050
1,2-diphenylnaphthalene
CID 11208267
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
bromo-(2,3,4-triphenylphenyl)phosphinous acid
CID 142735464

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane?
The IUPAC name of 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane (CID 87586907) is 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane.
What is the SMILES notation for 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane?
The canonical SMILES for 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane is BrCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.P.
What is the InChIKey of 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane?
The InChIKey is QNQHIPGCRQROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Br.H3P/c26-18-22-16-17-23(19-10-4-1-5-11-19)25(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20;/h1-17H,18H2;1H3.
What are the key properties of 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane?
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane has a molecular weight of 433.33 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane is sourced from PubChem (CID 87586907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).