[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol

C29H20BrFO — CID 140964016

IUPAC[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(F)ccc1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C29H20BrFO/c30-28-18-17-24(23-13-7-8-14-26(23)28)25-16-15-22(31)19-27(25)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H
InChIKeyKYVZCXJZPPYFRD-UHFFFAOYSA-N
MW483.38 g/mol
LogP7.69
Rot. Bonds4

About [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol

[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol (PubChem CID 140964016) has the molecular formula C29H20BrFO and a molecular weight of 483.38 g/mol. Its IUPAC name is [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol
PubChem CID140964016
Molecular FormulaC29H20BrFO
Molecular Weight483.38 g/mol
Exact Mass482.07
IUPAC Name[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cc(F)ccc1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C29H20BrFO/c30-28-18-17-24(23-13-7-8-14-26(23)28)25-16-15-22(31)19-27(25)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H
InChIKeyKYVZCXJZPPYFRD-UHFFFAOYSA-N
XLogP7.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 57.69
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 [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol?
The IUPAC name of [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol (CID 140964016) is [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol.
What is the SMILES notation for [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol?
The canonical SMILES for [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1cc(F)ccc1-c1ccc(Br)c2ccccc12.
What is the InChIKey of [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol?
The InChIKey is KYVZCXJZPPYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrFO/c30-28-18-17-24(23-13-7-8-14-26(23)28)25-16-15-22(31)19-27(25)29(32,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,32H.
What are the key properties of [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol?
[2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol has a molecular weight of 483.38 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromonaphthalen-1-yl)-5-fluorophenyl]-diphenylmethanol is sourced from PubChem (CID 140964016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).