(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol

C40H32N2O2 — CID 22018393

IUPAC(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESOC(c1ccc2cc(OCc3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C40H32N2O2/c43-39(33-22-21-32-26-37(24-23-31(32)25-33)44-28-30-13-5-1-6-14-30)38-27-42(29-41-38)40(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-27,29,39,43H,28H2
InChIKeyCADJPOBLHGXHBQ-UHFFFAOYSA-N
MW572.71 g/mol
LogP8.54
Rot. Bonds9

About (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol

(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 22018393) has the molecular formula C40H32N2O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
PubChem CID22018393
Molecular FormulaC40H32N2O2
Molecular Weight572.71 g/mol
Exact Mass572.25
IUPAC Name(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESOC(c1ccc2cc(OCc3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C40H32N2O2/c43-39(33-22-21-32-26-37(24-23-31(32)25-33)44-28-30-13-5-1-6-14-30)38-27-42(29-41-38)40(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-27,29,39,43H,28H2
InChIKeyCADJPOBLHGXHBQ-UHFFFAOYSA-N
XLogP8.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 11092260
1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea
CID 54481028
ethyl 2-hydroxy-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoate
CID 141215606
N-ethoxy-6-[3-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxamide
CID 87632573
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
benzyl (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 102137905
(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
CID 134157197
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186

Frequently Asked Questions

What is the IUPAC name of (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol (CID 22018393) is (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol is OC(c1ccc2cc(OCc3ccccc3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is CADJPOBLHGXHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O2/c43-39(33-22-21-32-26-37(24-23-31(32)25-33)44-28-30-13-5-1-6-14-30)38-27-42(29-41-38)40(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-27,29,39,43H,28H2.
What are the key properties of (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol?
(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol has a molecular weight of 572.71 g/mol, XLogP of 8.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 22018393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).